2IDA

Solution NMR Structure of Protein RPA1320 from Rhodopseudomonas Palustris. Northeast Structural Genomics Consortium Target RpT3; Ontario Center for Structural Proteomics Target RP1313.

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	0.6mM RPA1320, U-15N,13C: 10mM Tris, 250mM NaCl, 1mM Benzamidine, 10 mM DTT, 10 mM ZnSO4, 0.012 NaN3, 95% H2O, 5% D2O	95% H2O/5% D2O	250 mM NaCl	7.3	ambient	298
2	3D_13C-separated_NOESY	0.6mM RPA1320, U-15N,13C: 10mM Tris, 250mM NaCl, 1mM Benzamidine, 10 mM DTT, 10 mM ZnSO4, 0.012 NaN3, 95% H2O, 5% D2O	95% H2O/5% D2O	250 mM NaCl	7.3	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	500
2	Bruker	AVANCE	600
3	Bruker	AVANCE	800

NMR Refinement
Method	Details	Software
molecular dynamics, simulated annealing	The structures are based on 2123 NOE-derived distance constraints, 89 dihedral angle restraints, and 14 Hydrogen bonds restraints	NMRPipe

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)

Additional NMR Experimental Information
Details	ICP AES assay suggested 2.3 Zinc atoms per protein molecule

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	NMRPipe	2.3	Delaglio, F.
2	structure solution	CYANA	2.1	Guntert, P.
3	refinement	CNS	1.1	Brunger, A.T.

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.