BMRB: 7201

Backbone 1H, 13C, and 15N Chemical Shift Assignments for Bacillus subtilis YqbF

Authors

Ramelot, T.A., Kennedy, M.A., Cort, J.R.

Assembly

YqbF

Entity

1. YqbF (polymer, Thiol state: all free), 111 monomers, 12914.38 Da Detail

MFTAKLIKGK TYNVMGITFR AGVSQTVPKK LYEYLNENPY FILTQELNNQ KDDPINYTES ELKGMNKAEH ESIISNLGRN PSDFKNADER IAYILKQIDN KGELEHHHHH H

Formula weight

12914.38 Da

Source organism

Bacillus subtilis

Exptl. method

NMR

Refine. method

distance geometry simulated annealing, CNS water refinement

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.3 %, Completeness: 90.6 %, Completeness (bb): 93.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	90.6 % (1221 of 1348)	89.5 % (634 of 708)	90.5 % (469 of 518)	96.7 % (118 of 122)
Backbone	93.3 % (614 of 658)	92.4 % (207 of 224)	93.0 % (304 of 327)	96.3 % (103 of 107)
Sidechain	88.9 % (707 of 795)	88.2 % (427 of 484)	89.5 % (265 of 296)	100.0 % (15 of 15)
Aromatic	67.2 % (78 of 116)	67.2 % (39 of 58)	67.2 % (39 of 58)
Methyl	95.3 % (101 of 106)	90.6 % (48 of 53)	100.0 % (53 of 53)

1. YqfB

MFTAKLIKGK TYNVMGITFR AGVSQTVPKK LYEYLNENPY FILTQELNNQ KDDPINYTES ELKGMNKAEH ESIISNLGRN PSDFKNADER IAYILKQIDN KGELEHHHHH H

Show sample condition

Sample

Temperature 298 (±1) K, pH 5.5 (±.1)

#	Name	Isotope labeling	Type	Concentration
1	YqfB	[U-100% 13C; U-100% 15N]		1.3 mM
2	NH4Oac			20 mM
3	NaCL			100 mM
4	DTT			10 mM
5	CaCl2			5 mM

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LACS Plot; CA

Referencing offset: -0.14 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.14 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.02 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.07 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

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

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Release date

2006-08-15

Citation

NMR structure of YqfB from Bacillus sbutilis
Ramelot, T.A., Kennedy, M.A., Cort, J.R.

Related entities 1. YqbF, : 1 : 1 : 1 entities Detail

Experiments performed 1 experiments Detail