BMRB: 16905

Sma0114

Authors

Sheftic, S., Gage, D., Alexandrescu, A.

Assembly

Sma0114, response regulator

Entity

1. Sma0114, response regulator (polymer, Thiol state: all free), 123 monomers, 13593.40 Da Detail

GSHMTERRLR VLVVEDESMI AMLIEDTLCE LGHEVAATAS RMQEALDIAR KGQFDIAIID VNLDGEPSYP VADILAERNV PFIFATGYGS KGLDTRYSNI PLLTKPFLDS ELEAVLVQIS KEV

Formula weight

13593.4 Da

Source organism

Sinorhizobium meliloti

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 97.6 %, Completeness: 80.8 %, Completeness (bb): 93.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	80.8 % (1130 of 1399)	74.0 % (533 of 720)	86.1 % (478 of 555)	96.0 % (119 of 124)
Backbone	93.7 % (682 of 728)	91.9 % (228 of 248)	94.2 % (341 of 362)	95.8 % (113 of 118)
Sidechain	70.9 % (558 of 787)	64.6 % (305 of 472)	79.9 % (247 of 309)	100.0 % (6 of 6)
Aromatic	61.1 % (44 of 72)	61.1 % (22 of 36)	61.1 % (22 of 36)
Methyl	73.5 % (125 of 170)	76.5 % (65 of 85)	70.6 % (60 of 85)

1. Sma0114

GSHMTERRLR VLVVEDESMI AMLIEDTLCE LGHEVAATAS RMQEALDIAR KGQFDIAIID VNLDGEPSYP VADILAERNV PFIFATGYGS KGLDTRYSNI PLLTKPFLDS ELEAVLVQIS KEV

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	Sma114	[U-100% 15N]		500 uM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %
4	sodium phosphate	natural abundance		50 mM
5	DTT	natural abundance		1 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
6	Sma114	[U-100% 13C; U-100% 15N]		500 uM
7	D2O	natural abundance		100 %
8	sodium phosphate	natural abundance		50 mM
9	DTT	natural abundance		1 mM

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LACS Plot; CA

Referencing offset: 0.01 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	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.01 ppm, Outliers: 1 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	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.05 ppm, Outliers: 1 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	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.02 ppm, Outliers: 1 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	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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Protein Blocks Logo

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

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Coupling constant

78 J values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 310 K, pH 6.0 Detail

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Pressure 1 atm, Temperature 310 K, pH 6.0

Experiment name 3D HNHA

List #1 coupling_constant_list_1, Field strength (¹H) 600 MHz

Release date

2010-10-26

Citation

NMR assignments for the Sinorhizobium meliloti response regulator Sma0114
Sheftic, S.R., Garcia, P.P., Robinson, V.L., Gage, D.J., Alexandrescu, A.T.
Biomol. NMR Assign. (2011), 5, 55-58, PubMed 20936511 , DOI 10.1007/s12104-010-9266-1 , Abstract

Related entities 1. Sma0114, response regulator, : 1 : 1 : 126 entities Detail

Experiments performed 13 experiments Detail