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BMRB: 15089

2JN8

Solution NMR structure of Q8ZRJ2 from Salmonella typhimurium. Northeast Structural Genomics target StR65.

Authors

Aramini, J.M., Cort, J.R., Chi, H.K., Kellie, C., Li-Chung, M., Rong, X., Jinfeng, L., Micheal, B.C., Gurla, S.V.T., Thomas, A.B., Burkhard, R., Gaetano, M.T.

Assembly

StR65

Entity

1. StR65 (polymer, Thiol state: not present), 115 monomers, 12923.55 Da Detail

MVNFKDKSMP TAIEKALDFI GGMNTSASVP HSMDESTAKG ILKYLHDLGV PVSPEVVVAR GEQEGWNPEF TKKVAGWAEK VASGNRILIK NPEYFSTYMQ EQLKELVLEH HHHHH

Formula weight

12923.55 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: 94.8 %, Completeness: 91.8 %, Completeness (bb): 92.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.8 % (1238 of 1348)	92.4 % (647 of 700)	91.3 % (483 of 529)	90.8 % (108 of 119)
Backbone	92.0 % (624 of 678)	93.1 % (216 of 232)	92.0 % (310 of 337)	89.9 % (98 of 109)
Sidechain	91.8 % (713 of 777)	92.1 % (431 of 468)	91.0 % (272 of 299)	100.0 % (10 of 10)
Aromatic	76.7 % (92 of 120)	76.7 % (46 of 60)	75.9 % (44 of 58)	100.0 % (2 of 2)
Methyl	100.0 % (118 of 118)	100.0 % (59 of 59)	100.0 % (59 of 59)

1. StR65

MVNFKDKSMP TAIEKALDFI GGMNTSASVP HSMDESTAKG ILKYLHDLGV PVSPEVVVAR GEQEGWNPEF TKKVAGWAEK VASGNRILIK NPEYFSTYMQ EQLKELVLEH HHHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	StR65	[U-100% 13C; U-100% 15N]	1.17 mM
2	MES	natural abundance	20 mM
3	NaCl	natural abundance	100 mM
4	CaCl2	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	StR65	[U-5% 13C; U-100% 15N]	0.89 mM
8	MES	natural abundance	20 mM
9	NaCl	natural abundance	100 mM
10	CaCl2	natural abundance	5 mM
11	DTT	natural abundance	10 mM
12	sodium azide	natural abundance	0.02 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	StR65	carbon	external	indirect	0.2514495
¹H	StR65	protons	external	direct	1.0
¹⁵N	StR65	nitrogen	external	indirect	0.1013291

Referencing offset: -0.19 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	StR65	carbon	external	indirect	0.2514495
¹H	StR65	protons	external	direct	1.0
¹⁵N	StR65	nitrogen	external	indirect	0.1013291

Referencing offset: -0.19 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	StR65	carbon	external	indirect	0.2514495
¹H	StR65	protons	external	direct	1.0
¹⁵N	StR65	nitrogen	external	indirect	0.1013291

Referencing offset: 0.1 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	StR65	carbon	external	indirect	0.2514495
¹H	StR65	protons	external	direct	1.0
¹⁵N	StR65	nitrogen	external	indirect	0.1013291

Referencing offset: -0.18 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2JN8, Strand ID: A Detail

Release date

2008-09-24

Citation

Solution NMR structure of Q8ZRJ2 from Salmonella typhimurium. Northeast Structural Genomics target StR65
Aramini, J.M., Cort, J.R., Chi, H.K., Kellie, C., Li-Chung, M., Rong, X., Jinfeng, L., Micheal, B.C., Gurla, S.V.T., Thomas, A.B., Burkhard, R., Montelione, G.T.

Related entities 1. StR65, : 1 : 1 : 7 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC