Experiment: 2JWV

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-1H NOESY	1 mM RNA	100% D2O	0.05	7.0	ambient	298
2	2D 1H-1H NOESY	1 mM [U-99% 13C; U-99% 15N] RNA, 1 mM RNA	90% H2O/10% D2O	0.05	7.0	ambient	298
3	2D 1H-1H TOCSY	1 mM RNA	100% D2O	0.05	7.0	ambient	298
4	2D 1H-13C HSQC	1 mM [U-99% 13C; U-99% 15N] RNA, 1 mM RNA	90% H2O/10% D2O	0.05	7.0	ambient	298
5	3D 1H-13C NOESY	1 mM [U-99% 13C; U-99% 15N] RNA, 1 mM RNA	90% H2O/10% D2O	0.05	7.0	ambient	298
6	3D HCCH-TOCSY	1 mM [U-99% 13C; U-99% 15N] RNA, 1 mM RNA	90% H2O/10% D2O	0.05	7.0	ambient	298
7	2D 1H-1H COSY	1 mM [U-99% 13C; U-99% 15N] RNA, 1 mM RNA	90% H2O/10% D2O	0.05	7.0	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	900
2	Bruker	DMX	750

NMR Refinement
Method	Details	Software
simulated annealing	CNS 1.1-simulated annealing followed by a XPLOR-NIH refinement protocol	CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	50
Conformers Submitted Total Number	10
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	CNS	1.1	Brunger, Adams, Clore, Gros, Nilges and Read
2	refinement	X-PLOR NIH		Schwieters, Kuszewski, Tjandra and Clore

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.