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BMRB: 17038

2L0C

Solution NMR Structure of protein STY4237 (residues 36-120) from Salmonella enterica, Northeast Structural Genomics Consortium Target SlR115

Authors

Cort, J.R., Lee, D., Ciccosanti, C., Janjua, H., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Ramelot, T.A., KENNEDY, M.A.

Assembly

SlR115

Entity

1. SlR115 (polymer, Thiol state: not present), 97 monomers, 11108.27 Da Detail

MAPLQQKQVV VSNKREKPVN DRRSRQQEVS PAGTSMRYEA SFKPLNGGLE KTFRLQAQQY HALTVGDQGT LSYKGTRFVG FVSRTPDNEL EHHHHHH

Formula weight

11108.27 Da

Source organism

Salmonella enterica

Exptl. method

solution NMR

Refine. method

molecular dynamics and simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 96.9 %, Completeness: 86.3 %, Completeness (bb): 93.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.3 % (988 of 1145)	83.1 % (502 of 604)	89.0 % (388 of 436)	93.3 % (98 of 105)
Backbone	93.0 % (532 of 572)	90.8 % (178 of 196)	94.0 % (267 of 284)	94.6 % (87 of 92)
Sidechain	81.7 % (542 of 663)	79.4 % (324 of 408)	85.5 % (207 of 242)	84.6 % (11 of 13)
Aromatic	41.3 % (38 of 92)	43.5 % (20 of 46)	39.1 % (18 of 46)
Methyl	98.8 % (81 of 82)	97.6 % (40 of 41)	100.0 % (41 of 41)

1. SlR115

MAPLQQKQVV VSNKREKPVN DRRSRQQEVS PAGTSMRYEA SFKPLNGGLE KTFRLQAQQY HALTVGDQGT LSYKGTRFVG FVSRTPDNEL EHHHHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] SlR115, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	SlR115	[U-100% 13C; U-100% 15N]	1.1 mM
2	NaCl	natural abundance	100 mM
3	MES	natural abundance	20 mM
4	CaCl2	natural abundance	5 mM
5	NaN3	natural abundance	0.05 %
6	DTT	natural abundance	10 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] SlR115, 100% D2O

#	Name	Isotope labeling	Concentration
9	SlR115	[U-100% 13C; U-100% 15N]	1.1 mM
10	NaCl	natural abundance	100 mM
11	MES	natural abundance	20 mM
12	CaCl2	natural abundance	5 mM
13	NaN3	natural abundance	0.05 %
14	D2O	natural abundance	100 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [5% biosynthetically directed 13C; U-100% 15N] SlR115, 100% D2O

#	Name	Isotope labeling	Concentration
15	SlR115	[5% 13C; U-100% 15N]	1.1 mM
16	NaCl	natural abundance	100 mM
17	MES	natural abundance	20 mM
18	CaCl2	natural abundance	5 mM
19	NaN3	natural abundance	0.05 %
20	H2O	natural abundance	95 %
21	D2O	natural abundance	5 %

LACS Plot; CA

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

Referencing offset: -0.14 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: -0.14 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: 0.06 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.42 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L0C, Strand ID: A Detail

Release date

2010-08-23

Related entities 1. SlR115, : 1 : 4 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC