BMRB: 6369

1H, 13C 15N chemical shift assignment Bacillus halodurans Protein BH1534: The Northeast Structural Genomics Consortium Target BhR29

Authors

Liu, G., Ma, L., Shen, Y., Acton, T., Atreya, H.S., Xiao, R., Montelione, G.T., Szyperski, T.

Assembly

Protein BH1534

Entity

1. Protein BH1534 (polymer, Thiol state: all free), 138 monomers, 15917.68 Da Detail

MTRLPDIKKE VRFNAPIEKV WEAVSTSEGL AFWFMENDLK AETGHHFHLQ SPFGPSPCQV TDVERPIKLS FTWDTDGWSV TFHLKEEENG TIFTIVHSGW KQGDTKVEKA GAESAVVHER MDRGWHDLVN ERLRQIVE

Formula weight

15917.68 Da

Source organism

Alkalihalobacillus halodurans

Exptl. method

NMR

Refine. method

Torsion angle space dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 90.7 %, Completeness (bb): 83.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	90.7 % (1486 of 1639)	97.8 % (831 of 850)	79.9 % (514 of 643)	96.6 % (141 of 146)
Backbone	83.2 % (679 of 816)	97.5 % (272 of 279)	68.9 % (279 of 405)	97.0 % (128 of 132)
Sidechain	98.0 % (933 of 952)	97.9 % (559 of 571)	98.4 % (361 of 367)	92.9 % (13 of 14)
Aromatic	98.9 % (178 of 180)	98.9 % (89 of 90)	100.0 % (84 of 84)	83.3 % (5 of 6)
Methyl	99.3 % (137 of 138)	98.6 % (68 of 69)	100.0 % (69 of 69)

1. Protein BH1534

MTRLPDIKKE VRFNAPIEKV WEAVSTSEGL AFWFMENDLK AETGHHFHLQ SPFGPSPCQV TDVERPIKLS FTWDTDGWSV TFHLKEEENG TIFTIVHSGW KQGDTKVEKA GAESAVVHER MDRGWHDLVN ERLRQIVE

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 BH1534	[U-13C; U-15N]		0.8 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: 0.03 ppm, Outliers: 3 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: 0.03 ppm, Outliers: 3 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: -0.15 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: 1XN5, 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 BH1534, : 1 : 5 entities Detail

Experiments performed 4 experiments Detail