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BMRB: 16378

2KL1

Chemical shift assignment of GtR34C from Geobacillus thermodenitrificans. North East Structural Genomics Consortium Target GtR34C

Authors

Lee, H., Wang, H., Ciccosanti, C., Jiang, M., Nair, R., Rost, B., Acton, T.B., Xiao, R., Swapna, G., Evertt, J.K., Montelione, G.T., Prestegard, J.H.

Assembly

GtR34C

Entity

1. GtR34C (polymer, Thiol state: all free), 174 monomers, 19249.82 Da Detail

MNEAKGVYVM SVLPNMPAAG RLEAGDRIAA IDGQPINTSE QIVSYVREKQ AGDRVRVTFI RDRKQHEAEL VLKPFPHHPN QIGLGVTMNE AKGVYVMSVL PNMPAAGRLE AGDRIAAIDG QPINTSEQIV SYVREKQAGD RVRVTFIRDR KQHEAELVLK PFPHHPNQIG LGVT

Formula weight

19249.82 Da

Source organism

Geobacillus thermodenitrificans

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, RDCs

Chem. Shift Complete

Sequence coverage: 56.9 %, Completeness: 44.6 %, Completeness (bb): 50.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	44.6 % (893 of 2004)	43.7 % (459 of 1050)	44.2 % (342 of 774)	51.1 % (92 of 180)
Backbone	50.6 % (516 of 1020)	51.1 % (179 of 350)	48.8 % (248 of 508)	54.9 % (89 of 162)
Sidechain	39.9 % (456 of 1144)	40.0 % (280 of 700)	40.6 % (173 of 426)	16.7 % (3 of 18)
Aromatic	24.0 % (23 of 96)	35.4 % (17 of 48)	12.5 % (6 of 48)
Methyl	45.6 % (93 of 204)	46.1 % (47 of 102)	45.1 % (46 of 102)

1. GtR34C

MNEAKGVYVM SVLPNMPAAG RLEAGDRIAA IDGQPINTSE QIVSYVREKQ AGDRVRVTFI RDRKQHEAEL VLKPFPHHPN QIGLGVTMNE AKGVYVMSVL PNMPAAGRLE AGDRIAAIDG QPINTSEQIV SYVREKQAGD RVRVTFIRDR KQHEAELVLK PFPHHPNQIG LGVT

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	GtR34C	[U-100% 13C; U-100% 15N]	1.14 mM
2	sodium azide	natural abundance	2 %
3	DTT	natural abundance	10 mM
4	CaCl	natural abundance	5 mM
5	sodium chloride	natural abundance	200 mM
6	MES	natural abundance	20 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	GtR34C	[U-100% 13C; U-100% 15N]	1.14 mM
10	sodium azide	natural abundance	2 %
11	DTT	natural abundance	10 mM
12	CaCl	natural abundance	5 mM
13	sodium chloride	natural abundance	200 mM
14	MES	natural abundance	20 mM
15	C12E5 PEG/Hexanol	natural abundance	4.2 %
16	H2O	natural abundance	95 %
17	D2O	natural abundance	5 %

Sample #3

Solvent system 95% H2O/5% D2O, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
18	GtR34C	[U-100% 13C; U-100% 15N]	1.14 mM
19	sodium azide	natural abundance	2 %
20	DTT	natural abundance	10 mM
21	CaCl	natural abundance	5 mM
22	sodium chloride	natural abundance	200 mM
23	MES	natural abundance	20 mM
24	Negatively Charged Compressed Polyacrylamide Gel	natural abundance	7 %
25	H2O	natural abundance	95 %
26	D2O	natural abundance	5 %

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: -0.12 ppm, Outliers: 1 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: -0.12 ppm, Outliers: 1 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: -0.09 ppm, Outliers: 3 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: 0.49 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2KL1, Strand ID: A Detail

RDC

125 RDC values in 2 lists
Field strength (¹H) 600 MHz, Temperature 298 K, pH 6.5 Detail

Release date

2009-07-06

Citation

Solution Structure of GtR34C
Lee, H., Montelione, G.T., Prestegard, J.H.
Not known

Related entities 1. GtR34C, : 32 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC