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BMRB: 16251

2KHQ

Solution NMR structure of a phage integrase SSP1947 fragment 59-159 from Staphylococcus saprophyticus, Northeast Structural Genomics Consortium Target SyR103B

Authors

Eletsky, A., Mills, J.L., Hua, J., Belote, R.L., Ciccosanti, C., Jiang, M., Nair, R., Rost, B., Acton, T.B., Xiao, R., Swapna, G.V.T., Everett, J.K., Montelione, G.T., Szyperski, T.

Assembly

syr103b protein

Entity

1. syr103b protein (polymer, Thiol state: not present), 110 monomers, 13498.97 Da Detail

MITFADYFYQ WYEVNKLPHV SESTKRHYES AYKHIKDHFR HKLLKDIKRT EYQKFLNEYG LTHSYETIRK LNSYIRNAFD DAIHEGYVIK NPTYKAELHA SVLEHHHHHH

Formula weight

13498.97 Da

Source organism

Staphylococcus saprophyticus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.5 %, Completeness: 90.5 %, Completeness (bb): 91.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.5 % (1254 of 1385)	93.2 % (671 of 720)	87.1 % (478 of 549)	90.5 % (105 of 116)
Backbone	91.9 % (603 of 656)	91.8 % (202 of 220)	92.7 % (304 of 328)	89.8 % (97 of 108)
Sidechain	90.1 % (754 of 837)	93.8 % (469 of 500)	84.2 % (277 of 329)	100.0 % (8 of 8)
Aromatic	69.9 % (144 of 206)	85.4 % (88 of 103)	53.9 % (55 of 102)	100.0 % (1 of 1)
Methyl	100.0 % (100 of 100)	100.0 % (50 of 50)	100.0 % (50 of 50)

1. syr103b protein

MITFADYFYQ WYEVNKLPHV SESTKRHYES AYKHIKDHFR HKLLKDIKRT EYQKFLNEYG LTHSYETIRK LNSYIRNAFD DAIHEGYVIK NPTYKAELHA SVLEHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	syr103b_protein	[U-100% 13C; U-100% 15N]	0.69 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	calcium chloride	natural abundance	5 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	90.00 %
8	D2O	natural abundance	10.00 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	syr103b_protein	[U-5% 13C; U-100% 15N]	0.6 mM
10	MES	natural abundance	20 mM
11	sodium chloride	natural abundance	200 mM
12	calcium chloride	natural abundance	5 mM
13	DSS	natural abundance	50 uM
14	sodium azide	natural abundance	0.02 %
15	H2O	natural abundance	90.00 %
16	D2O	natural abundance	10.00 %

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: -0.22 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: -0.22 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: 0.04 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: -0.28 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KHQ, Strand ID: A Detail

Release date

2009-06-22

Citation

Solution NMR structure of a phage integrase SSP1947 fragment 59-159 from Staphylococcus saprophyticus
Eletsky, A., Mills, J.L., Hua, J., Belote, R., Ciccosanti, C., Jiang, M., Nair, R., Rost, B., Acton, T.B., Xiao, R., Swapna, G.V.T., Everett, J.K., Montelione, G.T., Szyperski, T.
Proteins: Struct. Funct. Genet.

Related entities 1. syr103b protein, : 1 : 6 entities Detail

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC