2GQB

Solution Structure of a conserved unknown protein RPA2825 from Rhodopseudomonas palustris; (Northeast Structural Genomics Consortium Target RpT4; Ontario Centre for Structural Proteomics Target rp2812 )

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	1mM Protein, U-15N,13C; 10mM MOPS; 450mM NaCl; 0.01% NaN3	95% H2O/5% D2O	450 mM NaCl, 10 mM MOPS	6.5	ambient	298
2	3D_13C-separated_NOESY	1mM Protein, U-15N,13C; 10mM MOPS; 450mM NaCl; 0.01% NaN3	95% H2O/5% D2O	450 mM NaCl, 10 mM MOPS	6.5	ambient	298
3	3D_13C-separated_NOESY	1mM Protein, U-15N,13C; 10mM MOPS; 450mM NaCl; 0.01% NaN3	100% D2O	450 mM NaCl, 10 mM MOPS	6.5	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	600

NMR Refinement
Method	Details	Software
simulated annealing	2136 NOE distance restraints 44 Hydron bond restraints 141 Angle restraints	TopSpin

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	TopSpin	1.3	Bruker Inc
2	processing	NMRPipe	2.3	Delaglio, F. et al
3	data analysis	Sparky	3.106	Goddard, T.D. and Kneller, D.G., UCSF
4	structure solution	CYANA	2.1	Gunter, P.
5	refinement	CNS	1.1	Brunger, A.T. et al

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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.