Experiment: 2LDT

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-1H TOCSY	0.8 - 1.6 mM [U-99% 13C; U-99% 15N] RNA (31-MER)	90% H2O/10% D2O	0.05	6.4	ambient	293
2	2D DQF-COSY	0.8 - 1.6 mM [U-99% 13C; U-99% 15N] RNA (31-MER)	90% H2O/10% D2O	0.05	6.4	ambient	293
3	2D 1H-15N HSQC	0.8 - 1.6 mM [U-99% 13C; U-99% 15N] RNA (31-MER)	90% H2O/10% D2O	0.05	6.4	ambient	293
4	2D 1H-13C HSQC	0.8 - 1.6 mM [U-99% 13C; U-99% 15N] RNA (31-MER)	90% H2O/10% D2O	0.05	6.4	ambient	293
5	2D 1H-1H NOESY	0.8 - 1.6 mM [U-99% 13C; U-99% 15N] RNA (31-MER)	90% H2O/10% D2O	0.05	6.4	ambient	293

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

NMR Refinement
Method	Details	Software
torsion angle dynamics		NMRPipe

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	50
Conformers Submitted Total Number	13
Representative Model	1 (closest to the average)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
2	refinement	XPLOR-NIH		Schwieters, Kuszewski, Tjandra and Clore

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.