Experiment: 1TXS

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	1-2 mM unlabeled RNA, 25 mM sodium chloride, 25 mM sodium phosphate	90% H2O, 10% D20	25 mM sodium chloride, 25 mM sodium phosphate	6.5	ambient	278
2	2D NOESY	1-2 mM unlabeled RNA, 25 mM sodium chloride, 25 mM sodium phosphate	D2O	25 mM sodium chloride, 25 mM sodium phosphate	6.5	ambient	303
3	DQF-COSY	1-2 mM unlabeled RNA, 25 mM sodium chloride, 25 mM sodium phosphate	D2O	25 mM sodium chloride, 25 mM sodium phosphate	6.5	ambient	303
4	2D TOCSY	1-2 mM unlabeled RNA, 25 mM sodium chloride, 25 mM sodium phosphate	D2O	25 mM sodium chloride, 25 mM sodium phosphate	6.5	ambient	303
5	3D_13C-separated_NOESY	1-2 mM 13C&15N-labeled RNA, 25 mM sodium chloride, 25 mM sodium phosphate	D2O	25 mM sodium chloride, 25 mM sodium phosphate	6.5	ambient	303
6	2D H(N)CO	1-2 mM 13C&15N-labeled RNA, 25 mM sodium chloride, 25 mM sodium phosphate	90% H2O, 10% D20	25 mM sodium chloride, 25 mM sodium phosphate	6.5	ambient	278
7	2D HNN-COSY	1-2 mM 13C&15N-labeled RNA, 25 mM sodium chloride, 25 mM sodium phosphate	90% H2O, 10% D20	25 mM sodium chloride, 25 mM sodium phosphate	6.5	ambient	278
8	2D CT nondecoupled 13C-HSQC	1-2 mM 13C&15N-labeled RNA, 25 mM sodium chloride, 25 mM sodium phosphate, 2.5% (WEIGHT/VOLUME) OF C12E6/N-HEXANOL MIXTURE (MOLAR RATIO 0.64)	D2O	25 mM sodium chloride, 25 mM sodium phosphate	6.5	ambient	298

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

NMR Refinement
Method	Details	Software
Torsion angle dynamics and restrained molecular dynamics		VNMR

NMR Ensemble Information
Conformer Selection Criteria	LOWEST TOTAL ENERGY
Conformers Calculated Total Number	25
Conformers Submitted Total Number	20
Representative Model	1 (lowest total energy)

Additional NMR Experimental Information
Details	This structure was determined using 541 NOE restraints and 136 RDC restraints.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	VNMR	6.1	Varian
2	processing	NMRPipe	2.1	Delaglio
3	data analysis	Sparky	3.1	Goddard, Kneller
4	refinement	DYANA	1.5	Guntert
5	refinement	XPLOR	NIH	Brunger

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.