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BMRB: 16102

2KD1

Solution NMR Structure of the Integrase-Like Domain from Bacillus cereus Ordered Locus BC_1272. Northeast Structural Genomics Target BcR268F

Authors

Rossi, P., Lee, H., Maglaqui, M., Foote, E.L., Buchwald, W.A., Jiang, M., Gurla, S., Nair, R., Xiao, R., Acton, T.B., Rost, B., Prestegard, J.H., Montelione, G.T.

Assembly

BcR268F

Entity

1. BcR268F (polymer, Thiol state: not present), 118 monomers, 13542.48 Da Detail

MEPSKLSYGE YLESWFNTKR HSVGIQTAKV LKGYLNSRII PSLGNIKLAK LTSLHMQNYV NSLRDEGLKR GTIEKIIKVI RNSLEHAIDL ELITKNVAAK TKLPKADKEE LEHHHHHH

Formula weight

13542.48 Da

Source organism

Bacillus cereus

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 93.3 %, Completeness (bb): 94.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.3 % (1337 of 1433)	93.5 % (702 of 751)	92.5 % (515 of 557)	96.0 % (120 of 125)
Backbone	94.2 % (661 of 702)	95.4 % (228 of 239)	92.8 % (323 of 348)	95.7 % (110 of 115)
Sidechain	92.5 % (780 of 843)	92.6 % (474 of 512)	92.2 % (296 of 321)	100.0 % (10 of 10)
Aromatic	72.2 % (65 of 90)	77.8 % (35 of 45)	65.9 % (29 of 44)	100.0 % (1 of 1)
Methyl	98.6 % (142 of 144)	97.2 % (70 of 72)	100.0 % (72 of 72)

1. BcR268F

MEPSKLSYGE YLESWFNTKR HSVGIQTAKV LKGYLNSRII PSLGNIKLAK LTSLHMQNYV NSLRDEGLKR GTIEKIIKVI RNSLEHAIDL ELITKNVAAK TKLPKADKEE LEHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5, Details BcR268F.003

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	0.986 mM
2	DSS	natural abundance	50 uM
3	sodium chloride	natural abundance	200 mM
4	MES	natural abundance	20 mM
5	DTT	natural abundance	10 mM
6	NaN3	natural abundance	0.02 %
7	Calcium Chloride	natural abundance	5 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5, Details BcR268F.005 This sample was added to PolyAcrylAmide Gel for RDC collection

#	Name	Isotope labeling	Concentration
8	entity	[5% 13C; U-100% 15N]	0.953 mM
9	DSS	natural abundance	50 uM
10	sodium chloride	natural abundance	200 mM
11	MES	natural abundance	20 mM
12	DTT	natural abundance	10 mM
13	NaN3	natural abundance	0.02 %
14	Calcium Chloride	natural abundance	5 mM

LACS Plot; CA

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

Referencing offset: 0.07 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: 0.07 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.03 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KD1, Strand ID: A Detail

Release date

2009-02-18

Citation

Solution NMR Structure of the Integrase-Like Domain from Bacillus cereus Ordered Locus BC_1272. Northeast Structural Genomics Target BcR268F
Rossi, P., Lee, H., Xiao, R., Acton, T., Prestegard, J.H., Montelione, G.
Not known

Related entities 1. BcR268F, : 1 : 2 entities Detail

Experiments performed 19 experiments Detail

1 2D 1H-15N HSQC