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BMRB: 15840

2K5K

Chemical Shift assignment of RhR2 from Rodobacter Sphaeroides, North east Structural Genomics Consortium Target SeR13

Authors

Lee, H., Bansal, S., Chen, C.X., Jiang, M., Maglaqui, M., Xiao, R., Liu, J., Baran, M.C., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T., Prestegard, J.H.

Assembly

RhR2

Entity

1. RhR2 (polymer, Thiol state: all free), 70 monomers, 8199.140 Da Detail

MRDMTEETRK DLPPEALRAL AEAEERRRRA KALDLPKEIG GRNGPEPVRF GDWEKKGIAI DFLEHHHHHH

Formula weight

8199.14 Da

Source organism

Cereibacter sphaeroides

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, RDCs

Chem. Shift Complete

Sequence coverage: 82.9 %, Completeness: 65.6 %, Completeness (bb): 78.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	65.6 % (544 of 829)	60.6 % (268 of 442)	69.4 % (222 of 320)	80.6 % (54 of 67)
Backbone	78.0 % (320 of 410)	77.1 % (108 of 140)	78.0 % (160 of 205)	80.0 % (52 of 65)
Sidechain	57.2 % (277 of 484)	53.0 % (160 of 302)	63.9 % (115 of 180)	100.0 % (2 of 2)
Aromatic	3.6 % (2 of 56)	3.6 % (1 of 28)	0.0 % (0 of 27)	100.0 % (1 of 1)
Methyl	69.0 % (40 of 58)	69.0 % (20 of 29)	69.0 % (20 of 29)

1. RhR2

MRDMTEETRK DLPPEALRAL AEAEERRRRA KALDLPKEIG GRNGPEPVRF GDWEKKGIAI DFLEHHHHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	RhR2	[U-100% 13C; U-100% 15N]	0.87 mM
2	sodium azide	natural abundance	0.2 %
3	DTT	natural abundance	100 mM
4	CaCl2	natural abundance	5 mM
5	sodium chloride	natural abundance	100 mM
6	MES	natural abundance	20 mM
7	H2O	natural abundance	95 %
8	D2O	[U-100% 2H]	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	RhR2	[U-100% 13C; U-100% 15N]	0.74 mM
10	sodium azide	natural abundance	0.2 %
11	DTT	natural abundance	100 mM
12	CaCl2	natural abundance	5 mM
13	sodium chloride	natural abundance	100 mM
14	MES	natural abundance	20 mM
15	Pentaethylene glycol monodecyl ether	natural abundance	8 %
16	H2O	natural abundance	95 %
17	D2O	[U-100% 2H]	5 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.21 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.21 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.33 ppm, Outliers: 1 Detail

RDC

19 RDC values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Release date

2008-07-23

Citation

Solution Structure of RhR2
Lee, H., Bansal, S., Montelione, G.T., Prestegard, J.H.
Not known

Related entities 1. RhR2, : 1 : 1 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC