BMRB: 6884

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

Authors

Hu, J., Xia, B.

Assembly

YflL monomer

Entity

1. YflL monomer (polymer, Thiol state: not available), 91 monomers, 10317.56 Da Detail

MLQYRIIVDG RVQGVGFRYF VQMEADKRKL AGWVKNRDDG RVEILAEGPE NALQSFVEAV KNGSPFSKVT DISVTESRSL EGHHRFSIVY S

Formula weight

10317.56 Da

Source organism

Bacillus subtilis

Exptl. method

NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.0 %, Completeness (bb): 96.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	89.0 % (951 of 1069)	88.9 % (495 of 557)	87.5 % (363 of 415)	95.9 % (93 of 97)
Backbone	96.9 % (525 of 542)	94.7 % (178 of 188)	98.5 % (261 of 265)	96.6 % (86 of 89)
Sidechain	83.4 % (509 of 610)	85.9 % (317 of 369)	79.4 % (185 of 233)	87.5 % (7 of 8)
Aromatic	16.0 % (15 of 94)	31.9 % (15 of 47)	0.0 % (0 of 46)	0.0 % (0 of 1)
Methyl	99.0 % (97 of 98)	98.0 % (48 of 49)	100.0 % (49 of 49)

1. YflL

MLQYRIIVDG RVQGVGFRYF VQMEADKRKL AGWVKNRDDG RVEILAEGPE NALQSFVEAV KNGSPFSKVT DISVTESRSL EGHHRFSIVY S

Show sample condition

Sample

Temperature 298 (±0.0) K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	YflL	[U-13C; U-15N]		0.5 mM
2	phosphate buffer			50 mM
3	NaN3			0.03 %
4	H20			90 %
5	D20			10 %

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LACS Plot; CA

Referencing offset: -0.03 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
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: -0.03 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
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: -0.06 ppm, Outliers: 2 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: 0.2 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
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: 2FHM, Strand ID: A Detail

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Release date

2007-04-10

Citation

solution structure of Bacillus subtilis Acylphosphatase
Hu, J., Xia, B.
J. Biol. Chem.

Related entities 1. YflL monomer, : 1 : 4 : 109 entities Detail

Experiments performed 1 experiments Detail