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BMRB: 30093

5JYV

NMR structure of foldswitch-stablized KaiB in complex with pseudo receiver domain of CikA from Thermosynechococcus elongatus

Authors

Tseng, R.D., Wang, A.L.

Assembly

Two-component sensor histidine kinase, Circadian clock protein KaiB

Entity

1. Two-component sensor histidine kinase (polymer, Thiol state: unknown), 117 monomers, 12891.67 Da Detail

EGRIVLVSED EATSTLICSI LTTAGYQVIW LVDGEVERLL ALTPIAVLLA EPFSYGDVQE LVDQLRQRCT PEQLKIFILG SKGNYQGVDR YIPLPIHPES FLQQVTMGLT SLATSAQ

2. Circadian clock protein KaiB (polymer, Thiol state: not present), 106 monomers, 11761.72 Da Detail

MAPLRKTAVL KLYVAGNTPN SVRALKTLAN ILEKEFKGVY ALKVIDVLKN PQLAEEDKIL ATPTLAKVLP PPVRRIIGDL SNREKVLIAL RLLAEEIGDY KDDDDK

Total weight

24653.39 Da

Max. entity weight

12891.67 Da

Source organism

Thermosynechococcus vestitus BP-1

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete1

Sequence coverage: 61.0 %, Completeness: 52.4 %, Completeness (bb): 59.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	52.4 % (1371 of 2616)	50.6 % (685 of 1355)	53.9 % (557 of 1034)	56.8 % (129 of 227)
Backbone	59.2 % (777 of 1312)	58.7 % (261 of 445)	59.1 % (388 of 657)	61.0 % (128 of 210)
Sidechain	47.3 % (716 of 1515)	46.6 % (424 of 910)	49.5 % (291 of 588)	5.9 % (1 of 17)
Aromatic	1.8 % (2 of 112)	1.8 % (1 of 56)	0.0 % (0 of 55)	100.0 % (1 of 1)
Methyl	55.3 % (188 of 340)	54.7 % (93 of 170)	55.9 % (95 of 170)

1. Two-component sensor histidine kinase

EGRIVLVSED EATSTLICSI LTTAGYQVIW LVDGEVERLL ALTPIAVLLA EPFSYGDVQE LVDQLRQRCT PEQLKIFILG SKGNYQGVDR YIPLPIHPES FLQQVTMGLT SLATSAQ

2. Circadian clock protein KaiB

MAPLRKTAVL KLYVAGNTPN SVRALKTLAN ILEKEFKGVY ALKVIDVLKN PQLAEEDKIL ATPTLAKVLP PPVRRIIGDL SNREKVLIAL RLLAEEIGDY KDDDDK

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 880 uM unlabeled KaiB mutant-N29A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	KaiB mutant-N29A	natural abundance	880 uM
2	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 400 uM [U-99% 15N] pseudo receiver domain of CikA, 440 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	KaiB mutant-N29A	natural abundance	440 uM
6	pseudo receiver domain of CikA	[U-99% 15N]	400 uM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 400 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 440 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
9	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	400 uM
10	pseudo receiver domain of CikA	natural abundance	440 uM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 700 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 770 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
13	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	700 uM
14	pseudo receiver domain of CikA	natural abundance	770 uM
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 400 uM [U-99% 15N] KaiB mutant-N29A, 440 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
17	KaiB mutant-N29A	[U-99% 15N]	400 uM
18	pseudo receiver domain of CikA	natural abundance	440 uM
19	H2O	natural abundance	90 %
20	D2O	natural abundance	10 %

Sample #6

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 400 uM [U-99% 15N] KaiB mutant-N29A, 440 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
21	KaiB mutant-N29A	[U-99% 15N]	400 uM
22	pseudo receiver domain of CikA	natural abundance	440 uM
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

Sample #7

Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 880 uM unlabeled KaiB mutant-N29A, 100% D2O

#	Name	Isotope labeling	Concentration
25	KaiB mutant-N29A	natural abundance	880 uM
26	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
27	D2O	natural abundance	100 %

Sample #8

Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 880 uM unlabeled pseudo receiver domain of CikA, 100% D2O

#	Name	Isotope labeling	Concentration
28	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
29	pseudo receiver domain of CikA	natural abundance	880 uM
30	D2O	natural abundance	100 %

Sample #9

Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 880 uM unlabeled KaiB mutant-N29A, 100% D2O

#	Name	Isotope labeling	Concentration
31	KaiB mutant-N29A	natural abundance	880 uM
32	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
33	D2O	natural abundance	100 %

Sample #10

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 880 uM unlabeled pseudo receiver domain of CikA, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
34	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
35	pseudo receiver domain of CikA	natural abundance	880 uM
36	H2O	natural abundance	95 %
37	D2O	natural abundance	5 %

Sample #11

Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 880 uM unlabeled pseudo receiver domain of CikA, 100% D2O

#	Name	Isotope labeling	Concentration
38	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
39	pseudo receiver domain of CikA	natural abundance	880 uM
40	D2O	natural abundance	100 %

Sample #12

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-100% 15N] pseudo receiver domain of CikA, 880 uM [U-100% 13C] KaiB mutant-N29A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
41	KaiB mutant-N29A	[U-100% 13C]	880 uM
42	pseudo receiver domain of CikA	[U-100% 15N]	800 uM
43	H2O	natural abundance	95 %
44	D2O	natural abundance	5 %

Sample #13

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-100% 15N] KaiB mutant-N29A, 880 uM [U-100% 13C] pseudo receiver domain of CikA, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
45	KaiB mutant-N29A	[U-100% 15N]	800 uM
46	pseudo receiver domain of CikA	[U-100% 13C]	880 uM
47	H2O	natural abundance	95 %
48	D2O	natural abundance	5 %

Sample #14

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 400 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 440 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
49	KaiB mutant-N29A	natural abundance	440 uM
50	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	400 uM
51	H2O	natural abundance	90 %
52	D2O	natural abundance	10 %

Sample #15

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 650 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 715 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
53	KaiB mutant-N29A	natural abundance	715 uM
54	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	650 uM
55	H2O	natural abundance	90 %
56	D2O	natural abundance	10 %

Sample #16

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 400 uM [U-99% 15N] pseudo receiver domain of CikA, 440 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
57	KaiB mutant-N29A	natural abundance	440 uM
58	pseudo receiver domain of CikA	[U-99% 15N]	400 uM
59	H2O	natural abundance	90 %
60	D2O	natural abundance	10 %

Chem. Shift Complete2

Sequence coverage: 58.3 %, Completeness: 52.3 %, Completeness (bb): 57.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	52.3 % (2737 of 5232)	51.0 % (1382 of 2710)	53.5 % (1106 of 2068)	54.8 % (249 of 454)
Backbone	57.8 % (1516 of 2624)	57.4 % (511 of 890)	57.7 % (758 of 1314)	58.8 % (247 of 420)
Sidechain	48.3 % (1464 of 3030)	47.9 % (871 of 1820)	50.3 % (591 of 1176)	5.9 % (2 of 34)
Aromatic	0.9 % (2 of 224)	0.9 % (1 of 112)	0.0 % (0 of 110)	50.0 % (1 of 2)
Methyl	55.3 % (376 of 680)	55.0 % (187 of 340)	55.6 % (189 of 340)

1. Two-component sensor histidine kinase

EGRIVLVSED EATSTLICSI LTTAGYQVIW LVDGEVERLL ALTPIAVLLA EPFSYGDVQE LVDQLRQRCT PEQLKIFILG SKGNYQGVDR YIPLPIHPES FLQQVTMGLT SLATSAQ

2. Circadian clock protein KaiB

MAPLRKTAVL KLYVAGNTPN SVRALKTLAN ILEKEFKGVY ALKVIDVLKN PQLAEEDKIL ATPTLAKVLP PPVRRIIGDL SNREKVLIAL RLLAEEIGDY KDDDDK

Show sample condition

Sample #1

#	Name	Isotope labeling	Concentration
1	KaiB mutant-N29A	natural abundance	880 uM
2	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 400 uM [U-99% 15N] pseudo receiver domain of CikA, 440 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	KaiB mutant-N29A	natural abundance	440 uM
6	pseudo receiver domain of CikA	[U-99% 15N]	400 uM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

Sample #3

#	Name	Isotope labeling	Concentration
9	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	400 uM
10	pseudo receiver domain of CikA	natural abundance	440 uM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

Sample #4

#	Name	Isotope labeling	Concentration
13	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	700 uM
14	pseudo receiver domain of CikA	natural abundance	770 uM
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 400 uM [U-99% 15N] KaiB mutant-N29A, 440 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
17	KaiB mutant-N29A	[U-99% 15N]	400 uM
18	pseudo receiver domain of CikA	natural abundance	440 uM
19	H2O	natural abundance	90 %
20	D2O	natural abundance	10 %

Sample #6

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 400 uM [U-99% 15N] KaiB mutant-N29A, 440 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
21	KaiB mutant-N29A	[U-99% 15N]	400 uM
22	pseudo receiver domain of CikA	natural abundance	440 uM
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

Sample #7

Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 880 uM unlabeled KaiB mutant-N29A, 100% D2O

#	Name	Isotope labeling	Concentration
25	KaiB mutant-N29A	natural abundance	880 uM
26	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
27	D2O	natural abundance	100 %

Sample #8

Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 880 uM unlabeled pseudo receiver domain of CikA, 100% D2O

#	Name	Isotope labeling	Concentration
28	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
29	pseudo receiver domain of CikA	natural abundance	880 uM
30	D2O	natural abundance	100 %

Sample #9

Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 880 uM unlabeled KaiB mutant-N29A, 100% D2O

#	Name	Isotope labeling	Concentration
31	KaiB mutant-N29A	natural abundance	880 uM
32	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
33	D2O	natural abundance	100 %

Sample #10

#	Name	Isotope labeling	Concentration
34	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
35	pseudo receiver domain of CikA	natural abundance	880 uM
36	H2O	natural abundance	95 %
37	D2O	natural abundance	5 %

Sample #11

Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 880 uM unlabeled pseudo receiver domain of CikA, 100% D2O

#	Name	Isotope labeling	Concentration
38	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
39	pseudo receiver domain of CikA	natural abundance	880 uM
40	D2O	natural abundance	100 %

Sample #12

#	Name	Isotope labeling	Concentration
41	KaiB mutant-N29A	[U-100% 13C]	880 uM
42	pseudo receiver domain of CikA	[U-100% 15N]	800 uM
43	H2O	natural abundance	95 %
44	D2O	natural abundance	5 %

Sample #13

#	Name	Isotope labeling	Concentration
45	KaiB mutant-N29A	[U-100% 15N]	800 uM
46	pseudo receiver domain of CikA	[U-100% 13C]	880 uM
47	H2O	natural abundance	95 %
48	D2O	natural abundance	5 %

Sample #14

#	Name	Isotope labeling	Concentration
49	KaiB mutant-N29A	natural abundance	440 uM
50	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	400 uM
51	H2O	natural abundance	90 %
52	D2O	natural abundance	10 %

Sample #15

#	Name	Isotope labeling	Concentration
53	KaiB mutant-N29A	natural abundance	715 uM
54	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	650 uM
55	H2O	natural abundance	90 %
56	D2O	natural abundance	10 %

Sample #16

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 400 uM [U-99% 15N] pseudo receiver domain of CikA, 440 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
57	KaiB mutant-N29A	natural abundance	440 uM
58	pseudo receiver domain of CikA	[U-99% 15N]	400 uM
59	H2O	natural abundance	90 %
60	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	601.1301 MHz	internal	indirect	1.0

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	601.1301 MHz	internal	indirect	1.0

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	601.1301 MHz	internal	indirect	1.0

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	601.1301 MHz	internal	indirect	1.0

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	601.1301 MHz	internal	indirect	1.0

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	601.1301 MHz	internal	indirect	1.0

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	601.1301 MHz	internal	indirect	1.0

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	601.1301 MHz	internal	indirect	1.0

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	601.1301 MHz	internal	indirect	1.0

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	601.1301 MHz	internal	indirect	1.0

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	601.1301 MHz	internal	indirect	1.0

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	601.1301 MHz	internal	indirect	1.0

Referencing offset: -0.11 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	601.1301 MHz	internal	indirect	1.0

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	601.1301 MHz	internal	indirect	1.0

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	601.1301 MHz	internal	indirect	1.0

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	601.1301 MHz	internal	indirect	1.0

Referencing offset: 0.35 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5JYV, Strand ID: A, B Detail

Release date

2016-05-24

Citation

Structural basis of the day-night transition in a bacterial circadian clock
Tseng, R., Goularte, N.F., Chavan, A., Luu, J., Cohen, S.E., Chang, Y.G., Heisler, J., Li, S., Michael, A.K., Tripathi, S., Golden, S.S., LiWang, A., Partch, C.L.
Science (2017), 355, 1174-1180, PubMed 28302851 , DOI 10.1126/science.aag2516 , Abstract

Related entities 1. Two-component sensor histidine kinase, : 2 entities Detail

Experiments performed 40 experiments Detail

1 3D HNCACB

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 880 uM unlabeled KaiB mutant-N29A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	KaiB mutant-N29A	natural abundance	880 uM
2	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

2 3D HN(CO)CACB

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KaiB mutant-N29A	natural abundance	880 uM
2	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

3 3D HNCO

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KaiB mutant-N29A	natural abundance	880 uM
2	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

4 3D HN(CA)CO

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KaiB mutant-N29A	natural abundance	880 uM
2	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

5 3D HBHA(CO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KaiB mutant-N29A	natural abundance	880 uM
2	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

6 15N, 13C edited 4D NOESY-HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-100% 15N] pseudo receiver domain of CikA, 880 uM [U-100% 13C] KaiB mutant-N29A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
41	KaiB mutant-N29A	[U-100% 13C]	880 uM
42	pseudo receiver domain of CikA	[U-100% 15N]	800 uM
43	H2O	natural abundance	95 %
44	D2O	natural abundance	5 %

7 2D IPAP-1H-15N HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 400 uM [U-99% 15N] pseudo receiver domain of CikA, 440 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	KaiB mutant-N29A	natural abundance	440 uM
6	pseudo receiver domain of CikA	[U-99% 15N]	400 uM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

8 2D IPAP-1H-15N HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 400 uM [U-99% 15N] pseudo receiver domain of CikA, 440 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
57	KaiB mutant-N29A	natural abundance	440 uM
58	pseudo receiver domain of CikA	[U-99% 15N]	400 uM
59	H2O	natural abundance	90 %
60	D2O	natural abundance	10 %

9 3D IPAP-HNCO

Instrument

Bruker AvanceIII - 600 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 650 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 715 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
53	KaiB mutant-N29A	natural abundance	715 uM
54	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	650 uM
55	H2O	natural abundance	90 %
56	D2O	natural abundance	10 %

10 3D IPAP-HNCO

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 400 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 440 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
49	KaiB mutant-N29A	natural abundance	440 uM
50	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	400 uM
51	H2O	natural abundance	90 %
52	D2O	natural abundance	10 %

11 3D IPAP-HNCO(CA)

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
53	KaiB mutant-N29A	natural abundance	715 uM
54	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	650 uM
55	H2O	natural abundance	90 %
56	D2O	natural abundance	10 %

12 3D IPAP-HNCO(CA)

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
49	KaiB mutant-N29A	natural abundance	440 uM
50	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	400 uM
51	H2O	natural abundance	90 %
52	D2O	natural abundance	10 %

13 3D HCCH-TOCSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 880 uM unlabeled KaiB mutant-N29A, 100% D2O

#	Name	Isotope labeling	Concentration
31	KaiB mutant-N29A	natural abundance	880 uM
32	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
33	D2O	natural abundance	100 %

14 3D HCCH-COSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
31	KaiB mutant-N29A	natural abundance	880 uM
32	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
33	D2O	natural abundance	100 %

15 3D 13C edited 1H-13C NOESY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
31	KaiB mutant-N29A	natural abundance	880 uM
32	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
33	D2O	natural abundance	100 %

16 3D 15N edited 1H-15N NOESY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KaiB mutant-N29A	natural abundance	880 uM
2	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

17 13C-edited, 12C-filtered 3D NOESY-HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 880 uM unlabeled pseudo receiver domain of CikA, 100% D2O

#	Name	Isotope labeling	Concentration
28	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
29	pseudo receiver domain of CikA	natural abundance	880 uM
30	D2O	natural abundance	100 %

18 15N, 13C edited 4D NOESY-HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-100% 15N] KaiB mutant-N29A, 880 uM [U-100% 13C] pseudo receiver domain of CikA, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
45	KaiB mutant-N29A	[U-100% 15N]	800 uM
46	pseudo receiver domain of CikA	[U-100% 13C]	880 uM
47	H2O	natural abundance	95 %
48	D2O	natural abundance	5 %

19 2D IPAP-1H-15N HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 400 uM [U-99% 15N] KaiB mutant-N29A, 440 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
21	KaiB mutant-N29A	[U-99% 15N]	400 uM
22	pseudo receiver domain of CikA	natural abundance	440 uM
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

20 2D IPAP-1H-15N HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 400 uM [U-99% 15N] KaiB mutant-N29A, 440 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
17	KaiB mutant-N29A	[U-99% 15N]	400 uM
18	pseudo receiver domain of CikA	natural abundance	440 uM
19	H2O	natural abundance	90 %
20	D2O	natural abundance	10 %

21 3D IPAP-HNCO

Instrument

Bruker AvanceIII - 600 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 700 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 770 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
13	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	700 uM
14	pseudo receiver domain of CikA	natural abundance	770 uM
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

22 3D IPAP-HNCO

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 400 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 440 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
9	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	400 uM
10	pseudo receiver domain of CikA	natural abundance	440 uM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

23 3D IPAP-HNCO(CA)

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
13	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	700 uM
14	pseudo receiver domain of CikA	natural abundance	770 uM
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

24 3D IPAP-HNCO(CA)

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
9	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	400 uM
10	pseudo receiver domain of CikA	natural abundance	440 uM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

25 3D HCA(CO)N

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
38	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
39	pseudo receiver domain of CikA	natural abundance	880 uM
40	D2O	natural abundance	100 %

26 3D HCAN

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
38	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
39	pseudo receiver domain of CikA	natural abundance	880 uM
40	D2O	natural abundance	100 %

27 3D HCCH-TOCSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
38	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
39	pseudo receiver domain of CikA	natural abundance	880 uM
40	D2O	natural abundance	100 %

28 3D HCCH-COSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
38	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
39	pseudo receiver domain of CikA	natural abundance	880 uM
40	D2O	natural abundance	100 %

29 3D 13C edited 1H-13C NOESY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
38	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
39	pseudo receiver domain of CikA	natural abundance	880 uM
40	D2O	natural abundance	100 %

30 3D 15N edited 1H-15N NOESY

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 323 K, pH 7, Details 800 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 880 uM unlabeled pseudo receiver domain of CikA, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
34	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
35	pseudo receiver domain of CikA	natural abundance	880 uM
36	H2O	natural abundance	95 %
37	D2O	natural abundance	5 %

31 3D HBHA(CO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
34	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
35	pseudo receiver domain of CikA	natural abundance	880 uM
36	H2O	natural abundance	95 %
37	D2O	natural abundance	5 %

32 3D HN(CA)CO

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
34	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
35	pseudo receiver domain of CikA	natural abundance	880 uM
36	H2O	natural abundance	95 %
37	D2O	natural abundance	5 %

33 3D HNCO

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
34	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
35	pseudo receiver domain of CikA	natural abundance	880 uM
36	H2O	natural abundance	95 %
37	D2O	natural abundance	5 %

34 3D HN(CO)CACB

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
34	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
35	pseudo receiver domain of CikA	natural abundance	880 uM
36	H2O	natural abundance	95 %
37	D2O	natural abundance	5 %

35 3D HNCACB

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
34	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
35	pseudo receiver domain of CikA	natural abundance	880 uM
36	H2O	natural abundance	95 %
37	D2O	natural abundance	5 %

36 13C-edited, 12C-filtered 3D NOESY-HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
25	KaiB mutant-N29A	natural abundance	880 uM
26	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
27	D2O	natural abundance	100 %

37 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
34	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
35	pseudo receiver domain of CikA	natural abundance	880 uM
36	H2O	natural abundance	95 %
37	D2O	natural abundance	5 %

38 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KaiB mutant-N29A	natural abundance	880 uM
2	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

39 2D 1H-13C HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
38	KaiB mutant-N29A	[U-99% 13C; U-99% 15N]	800 uM
39	pseudo receiver domain of CikA	natural abundance	880 uM
40	D2O	natural abundance	100 %

40 2D 1H-13C HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
31	KaiB mutant-N29A	natural abundance	880 uM
32	pseudo receiver domain of CikA	[U-99% 13C; U-99% 15N]	800 uM
33	D2O	natural abundance	100 %

NMR combined restraints 9 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_30093_5jyv.nef
Input source #2: Coordindates	5jyv.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

-----620-------630-------640-------650-------660-------670-------680-------690-------700-------710--
EGRIVLVSEDEATSTLICSILTTAGYQVIWLVDGEVERLLALTPIAVLLAEPFSYGDVQELVDQLRQRCTPEQLKIFILGSKGNYQGVDRYIPLPIHPES
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
EGRIVLVSEDEATSTLICSILTTAGYQVIWLVDGEVERLLALTPIAVLLAEPFSYGDVQELVDQLRQRCTPEQLKIFILGSKGNYQGVDRYIPLPIHPES
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

-----720---------
FLQQVTMGLTSLATSAQ
|||||||||||||||||
FLQQVTMGLTSLATSAQ
-------110-------

Entity_assembly_ID (NMR): B vs Auth_asym_ID (model): B

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MAPLRKTAVLKLYVAGNTPNSVRALKTLANILEKEFKGVYALKVIDVLKNPQLAEEDKILATPTLAKVLPPPVRRIIGDLSNREKVLIALRLLAEEIGDY
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MAPLRKTAVLKLYVAGNTPNSVRALKTLANILEKEFKGVYALKVIDVLKNPQLAEEDKILATPTLAKVLPPPVRRIIGDLSNREKVLIALRLLAEEIGDY

------
KDDDDK
||||||
KDDDDK

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	117	0	0	100.0
B	B	106	0	0	100.0

Content subtype: combined_30093_5jyv.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1221		100.0 (chain: A, length: 117)
2	Assigned chemical shifts	assigned_chemical_shifts_2	Warning	1090		94.3 (chain: B, length: 106)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	1558 (1)	noe	92.3 (chain: A, length: 117)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	Warning	1444 (1)	noe	99.1 (chain: A, length: 117), 19.8 (chain: B, length: 106)
3	Distance restraints	CNS/XPLOR_distance_constraints_6	OK	1942 (1)	noe	93.4 (chain: B, length: 106)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	376 (376)	.	92.3 (chain: A, length: 117), 88.7 (chain: B, length: 106)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_5	OK	96 (96)	.	47.0 (chain: A, length: 117)
2	RDC restraints	CNS/XPLOR_dipolar_coupling_7	OK	92 (92)	.	42.5 (chain: B, length: 106)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 117, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 492
  - ¹H chemical shifts: 619
  - ¹⁵N chemical shifts: 110
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A
Saveframe: assigned_chemical_shifts_2
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: B, Chain length: 106, Sequence coverage: 94.3%
- Total number of assignments
  - ¹H chemical shifts: 560
  - ¹³C chemical shifts: 440
  - ¹⁵N chemical shifts: 90
- Completeness of assignments
  - Entity_assemble_ID: B
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: B

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 117, Sequence coverage: 92.3%
- Total number of restraints: 1460
- Weight of restraints: 1.0 (1460)
- Potential type of restraints: square-well-parabolic (1460)
- Range of distance target values: 1.8, 5.15 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
    None
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: Warning
  - Experiment type: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 117, Sequence coverage: 99.1%
    - Entity_assembly_ID: B, Chain length: 106, Sequence coverage: 19.8%
  - Total number of restraints: 1365
  - Weight of restraints: 1.0 (1365)
  - Potential type of restraints: square-well-parabolic (1365)
  - Range of distance target values: 1.9, 4.85 (Å)
  - Histogram of distance target values
  - Histogram of discrepancy in distance target values
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
  - Distance restraints on contact map
  - Saveframe: CNS/XPLOR_distance_constraints_6
    - Status: OK
    - Experiment type: noe
    - Sequence coverage of experimental data
      - Entity_assembly_ID: B, Chain length: 106, Sequence coverage: 93.4%
    - Total number of restraints: 1833
    - Weight of restraints: 1.0 (1833)
    - Potential type of restraints: square-well-parabolic (1833)
    - Range of distance target values: 1.8, 5.05 (Å)
    - Histogram of distance target values
    - Histogram of discrepancy in distance target values
    - Distance restraints per residue
      - Chain_ID: A
        None
      - Chain_ID: B
    - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 117, Sequence coverage: 92.3%
  - Entity_assembly_ID: B, Chain length: 106, Sequence coverage: 88.7%
- Total number of restraints: 376
- Total number of restraints per polymer type: 376
- Weight of restraints: 1.0 (376)
- Potential type of restraints: square-well-parabolic (376)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A
  - Chain_ID: B

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_5
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 117, Sequence coverage: 47.0%
- Total number of restraints: 96
- Potential type of restraints: square-well-parabolic (96)
- Range of observed RDC values: -27.4, 27.4 (Hz)
- Histogram of observed RDC values
- Histogram of discrepancy in observed RDC values
- RDC restraints per residue
- Saveframe: CNS/XPLOR_dipolar_coupling_7
  - Status: OK
  - Experiment type: .
  - Sequence coverage of experimental data
    - Entity_assembly_ID: B, Chain length: 106, Sequence coverage: 42.5%
  - Total number of restraints: 92
  - Potential type of restraints: square-well-parabolic (92)
  - Range of observed RDC values: -22.4, 31.8 (Hz)
  - Histogram of observed RDC values
  - Histogram of discrepancy in observed RDC values
  - RDC restraints per residue

Keywords Circadian Clock, Signaling protein complex

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	536	492	91.8
¹H chemical shifts	694	619	89.2
¹⁵N chemical shifts	127	110	86.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	234	233	99.6
¹H chemical shifts	236	233	98.7
¹⁵N chemical shifts	111	109	98.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	302	259	85.8
¹H chemical shifts	458	386	84.3
¹⁵N chemical shifts	16	1	6.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	661	560	84.7
¹³C chemical shifts	498	440	88.4
¹⁵N chemical shifts	111	90	81.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	209	193	92.3
¹³C chemical shifts	212	197	92.9
¹⁵N chemical shifts	99	90	90.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	452	367	81.2
¹³C chemical shifts	286	243	85.0
¹⁵N chemical shifts	12	0	0.0

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Found 1 Document (1.276 seconds)

BMRB: 30093

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Related entities 1. Two-component sensor histidine kinase, : 2 entities Detail

Experiments performed 40 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument