2K47

Solution structure of the C-terminal N-RNA binding domain of the Vesicular Stomatitis Virus Phosphoprotein

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D HNCACB	1.2 mM [U-100% 13C; U-100% 15N] protein, 90% H2O, 10% D2O	90% H2O/10% D2O		7.5	ambient	298
2	4D HC(CCO)NH	1.2 mM [U-100% 13C; U-100% 15N] protein, 90% H2O, 10% D2O	90% H2O/10% D2O		7.5	ambient	298
3	2D (HB)CB(CGCDCE)HE/(HB)CB(CGCD)HD	1.2 mM [U-100% 13C; U-100% 15N] protein, 90% H2O, 10% D2O	90% H2O/10% D2O		7.5	ambient	298
4	3D 15N NOESY-HSQC	1.2 mM [U-100% 13C; U-100% 15N] protein, 90% H2O, 10% D2O	90% H2O/10% D2O		7.5	ambient	298
5	3D aliphatic/aromatic 13C NOESY-HSQC	1.2 mM [U-100% 13C; U-100% 15N] protein, 90% H2O, 10% D2O	90% H2O/10% D2O		7.5	ambient	298
6	3D methyl selective 13C NOESY-HSQC	1.2 mM [U-100% 13C; U-100% 15N] protein, 90% H2O, 10% D2O	90% H2O/10% D2O		7.5	ambient	298
7	3D BEST HNCO/HNCOCA	1.2 mM [U-100% 13C; U-100% 15N] protein, 90% H2O, 10% D2O	90% H2O/10% D2O		7.5	ambient	298
8	R1, R2(CPMG 1H-15N Het NOE	1.2 mM [U-100% 13C; U-100% 15N] protein, 90% H2O, 10% D2O	90% H2O/10% D2O		7.5	ambient	298
9	3D BEST HNCO/HNCOCA	1.2 mM [U-100% 13C; U-100% 15N] protein, 90% H2O, 10% D2O	90% H2O/10% D2O		7.5	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	600
2	Varian	INOVA	800

NMR Refinement
Method	Details	Software
simulated annealing	Atnos-candid using CYANA, then CNS interfaced to the program Sculptor for rdc refinement	CNS

NMR Ensemble Information
Conformer Selection Criteria	20 structures for lowest energy
Conformers Calculated Total Number	500
Conformers Submitted Total Number	20
Representative Model	1 (fewest violations)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS

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.