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BMRB: 15090

2MA8

Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein STM0082: Northeast Structural Genomics Consortium Target StR109

Authors

Eletsky, A., Parish, D., Liu, G., Sukumaran, D., Jiang, M., Cunningham, K., Ma, L., Xiao, R., Rost, B., Montelione, G., Szyperski, T.

Assembly

str109 homodimer

Entity

1. str109 homodimer (polymer, Thiol state: not present), 104 monomers, 11367.70 × 2 Da Detail

MKKRIIAAAL LATVASFSTL AAEQVSKQEI SHFKLVKVGT INVSQSGGQI SSPSDLREKL SELADAKGGK YYHIIAAREH GPNFEAVAEV YNDATKLEHH HHHH

Total weight

22735.4 Da

Max. entity weight

11367.7 Da

Source organism

Salmonella enterica subsp. enterica serovar Typhimurium

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 81.7 %, Completeness: 74.8 %, Completeness (bb): 79.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	74.8 % (885 of 1183)	75.7 % (461 of 609)	72.3 % (336 of 465)	80.7 % (88 of 109)
Backbone	79.0 % (490 of 620)	79.7 % (169 of 212)	78.4 % (240 of 306)	79.4 % (81 of 102)
Sidechain	71.4 % (472 of 661)	73.6 % (292 of 397)	67.3 % (173 of 257)	100.0 % (7 of 7)
Aromatic	24.4 % (22 of 90)	31.1 % (14 of 45)	17.8 % (8 of 45)
Methyl	73.4 % (91 of 124)	74.2 % (46 of 62)	72.6 % (45 of 62)

1. StR109 subunit

MKKRIIAAAL LATVASFSTL AAEQVSKQEI SHFKLVKVGT INVSQSGGQI SSPSDLREKL SELADAKGGK YYHIIAAREH GPNFEAVAEV YNDATKLEHH HHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5 (±0.1), Details 100% N15; 100% C13

#	Name	Isotope labeling	Concentration
1	StR109 subunit	[U-100% 13C; U-100% 15N]	1.38 mM
2	sodium chloride	natural abundance	100 mM
3	DTT	natural abundance	100 mM
4	CaCl2	natural abundance	5 mM
5	MES	natural abundance	20 mM
6	sodium azide	natural abundance	0.02 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5 (±0.1), Details 100% N15; 5% C13

#	Name	Isotope labeling	Concentration
7	StR109 subunit	[U-5% 13C; U-100% 15N]	1.8 mM
8	sodium chloride	natural abundance	100 mM
9	DTT	natural abundance	100 mM
10	CaCl2	natural abundance	5 mM
11	MES	natural abundance	20 mM
12	sodium azide	natural abundance	0.02 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5 (±0.1), Details [U-100% N15; U-100% C13] / natural abundance mixture

#	Name	Isotope labeling	Concentration
13	StR109 subunit	[U-100% 13C; U-100% 15N]	1.2 mM
14	StR109 subunit	natural abundance	1.2 mM
15	sodium chloride	natural abundance	100 mM
16	DTT	natural abundance	100 mM
17	CaCl2	natural abundance	5 mM
18	MES	natural abundance	20 mM
19	sodium azide	natural abundance	0.02 %

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: -0.23 ppm, Outliers: 3 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: -0.23 ppm, Outliers: 3 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: -0.01 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: 0.12 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MA8, Strand ID: A, B Detail

Release date

2007-03-05

Citation

Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein STM0082: Northeast Structural Genomics Consortium Target StR109
Eletsky, A., Parish, D., Liu, G., Sukumaran, D., Jiang, M., Cunningham, K., Ma, L., Xiao, R., Rost, B., Montelione, G., Szyperski, T.

Related entities 1. str109 homodimer, : 1 : 1 : 4 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC