BMRB: 6365

1H, 13C 15N chemical shift assignment of B. cereus protein BC4709, Northeast Structural Genomics Target Protein BcR68

Authors

Liu, G., Acton, T., Parish, D., Ma, L., Xu, D., Xiao, R., Montelione, G.T., Szyperski, T.

Assembly

Protein BC4709

Entity

1. Protein BC4709 (polymer, Thiol state: all free), 143 monomers, 16079.00 Da Detail

MEQQNTLNDI KQTIVFNASI QKVWSVVSTA EGIASWFMPN DFVLEVGHEF HVQSPFGPSP CKVLEIDEPN HLSFSWDTDG WVVSFDLKDL GDNKTEFTLI HGGWKHPDEI LPKANAKSSI IRDRMSGGWV AIVNEKLKKV VEG

Formula weight

16079.0 Da

Source organism

Bacillus cereus

Exptl. method

NMR

Refine. method

Torsion angle space dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 91.0 %, Completeness (bb): 84.0 % Detail

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• NMR-STAR v3.1 (partial)
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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	91.0 % (1540 of 1692)	98.2 % (859 of 875)	80.2 % (531 of 662)	96.8 % (150 of 155)
Backbone	84.0 % (709 of 844)	98.3 % (284 of 289)	69.7 % (292 of 419)	97.8 % (133 of 136)
Sidechain	98.0 % (961 of 981)	98.1 % (575 of 586)	98.1 % (369 of 376)	89.5 % (17 of 19)
Aromatic	98.3 % (169 of 172)	98.8 % (85 of 86)	100.0 % (80 of 80)	66.7 % (4 of 6)
Methyl	98.7 % (154 of 156)	98.7 % (77 of 78)	98.7 % (77 of 78)

1. Protein BC4709

MEQQNTLNDI KQTIVFNASI QKVWSVVSTA EGIASWFMPN DFVLEVGHEF HVQSPFGPSP CKVLEIDEPN HLSFSWDTDG WVVSFDLKDL GDNKTEFTLI HGGWKHPDEI LPKANAKSSI IRDRMSGGWV AIVNEKLKKV VEG

Show sample condition

Sample

Pressure 1 (±0.001) atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Protein BC4709	[U-13C; U-15N]		1.5 mM
2	MES			20 mM
3	NaCl			100 mM
4	DTT			10 mM
5	CaCl2			5 mM
6	NaN3			0.02 %
7	H2O			95 %
8	D2O			5 %

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LACS Plot; CA

Referencing offset: 0.04 ppm, Outliers: 5 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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LACS Plot; CB

Referencing offset: 0.04 ppm, Outliers: 5 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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LACS Plot; HA

Referencing offset: -0.1 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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Protein Blocks Logo

Calculated from 20 models in PDB: 1XN6, Strand ID: A Detail

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Release date

2005-10-30

Citation

NMR data collection and analysis protocol for high-throughput protein structure determination
Liu, G., Shen, Y., Atreya, H.S., Parish, D., Shao, Y., Sukumaran, D.K., Xiao, R., Yee, A., Lemak, A., Bhattacharya, A., Acton, T.A., Arrowsmith, C.H., Montelione, G.T., Szyperski, T.
Proc. Natl. Acad. Sci. U. S. A. (2005), 102, 10487-10492, PubMed 16027363 , DOI 10.1073/pnas.0504338102 , Abstract

Related entities 1. Protein BC4709, : 1 : 5 entities Detail