2JRT

NMR solution structure of the protein coded by gene RHOS4_12090 of Rhodobacter sphaeroides. Northeast Structural Genomics target RhR5

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1.0 mM [U-5% 13C; U-100% 15N] protein, 10 mM DTT, 100 mM sodium chloride	95% H2O/5% D2O	100	6.5	ambient	293.0
2	2D 1H-13C HSQC	1.0 mM [U-5% 13C; U-100% 15N] protein, 10 mM DTT, 100 mM sodium chloride	95% H2O/5% D2O	100	6.5	ambient	293.0
3	2D 1H-13C HSQC	1.0 mM [U-100% 13C; U-100% 15N] protein, 10 mM DTT, 100 mM sodium chloride	95% H2O/5% D2O	100	6.5	ambient	293.0
4	3D HNCA	1.0 mM [U-100% 13C; U-100% 15N] protein, 10 mM DTT, 100 mM sodium chloride	95% H2O/5% D2O	100	6.5	ambient	293.0
5	3D HNCO	1.0 mM [U-100% 13C; U-100% 15N] protein, 10 mM DTT, 100 mM sodium chloride	95% H2O/5% D2O	100	6.5	ambient	293.0
6	3D HNCACB	1.0 mM [U-100% 13C; U-100% 15N] protein, 10 mM DTT, 100 mM sodium chloride	95% H2O/5% D2O	100	6.5	ambient	293.0
7	3D CBCA(CO)NH	1.0 mM [U-100% 13C; U-100% 15N] protein, 10 mM DTT, 100 mM sodium chloride	95% H2O/5% D2O	100	6.5	ambient	293.0
8	3D HBHA(CO)NH	1.0 mM [U-100% 13C; U-100% 15N] protein, 10 mM DTT, 100 mM sodium chloride	95% H2O/5% D2O	100	6.5	ambient	293.0
9	3D HCCH-TOCSY	1.0 mM [U-100% 13C; U-100% 15N] protein, 10 mM DTT, 100 mM sodium chloride	95% H2O/5% D2O	100	6.5	ambient	293.0
10	3D HCCH-COSY	1.0 mM [U-100% 13C; U-100% 15N] protein, 10 mM DTT, 100 mM sodium chloride	95% H2O/5% D2O	100	6.5	ambient	293.0
11	CCH-TOCSY	1.0 mM [U-100% 13C; U-100% 15N] protein, 10 mM DTT, 100 mM sodium chloride	95% H2O/5% D2O	100	6.5	ambient	293.0
12	3D 1H-15N NOESY	1.0 mM [U-5% 13C; U-100% 15N] protein, 10 mM DTT, 100 mM sodium chloride	95% H2O/5% D2O	100	6.5	ambient	293.0
13	3D 1H-13C NOESY	1.0 mM [U-100% 13C; U-100% 15N] protein, 10 mM DTT, 100 mM sodium chloride	95% H2O/5% D2O	100	6.5	ambient	293.0

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	600

NMR Refinement
Method	Details	Software
simulated annealing		CYANA

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	CYANA		Guntert, Mumenthaler and Wuthrich
2	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
3	data analysis	Sparky		Goddard
4	structure solution	X-PLOR		Brunger
5	validation	PSVS		Bhattacharya and Montelione
6	refinement	X-PLOR		Brunger

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.