Experiment: 1L1W

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	0.5mM RNA fragment; 20mM phosphate buffer NA; 95% H2O, 5% D2O	95% H2O/5% D2O	50mM NaCl	6.5	ambient	298
2	2D NOESY	0.5mM RNA fragment; 20mM phosphate buffer NA; 100% D2O	100% D2O	50mM NaCl	6.5	ambient	298
3	2D HNN-COSY	0.5mM RNA fragment U-15N,13C-Guanosine,Cytidine; 20mM phosphate buffer NA; 95% H2O, 5% D2O	95% H2O/5% D2O	50mM NaCl	6.5	ambient	298
4	2D half filtered NOESY	0.5mM RNA fragment U-15N,13C-Guanosine,Cytidine; 20mM phosphate buffer NA; 100% D2O	100% D2O	50mM NaCl	6.5	ambient	298
5	2D half filtered NOESY	0.5mM RNA fragment U-15N,13C-Guanosine,Uridine; 20mM phosphate buffer NA; 100% D2O	100% D2O	50mM NaCl	6.5	ambient	298
6	2D half filtered NOESY	0.5mM RNA fragment U-15N,13C-Adenosine,Cytidine; 20mM phosphate buffer NA; 100% D2O	100% D2O	50mM NaCl	6.5	ambient	298
7	DQF-COSY	0.5mM RNA fragment; 20mM phosphate buffer NA; 95% H2O, 5% D2O	95% H2O/5% D2O	50mM NaCl	6.5	ambient	298
8	2D HP-COSY	0.5mM RNA fragment; 20mM phosphate buffer NA; 95% H2O, 5% D2O	95% H2O/5% D2O	50mM NaCl	6.5	ambient	298
9	2D TOCSY	0.5mM RNA fragment; 20mM phosphate buffer NA; 95% H2O, 5% D2O	95% H2O/5% D2O	50mM NaCl	6.5	ambient	298

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

NMR Refinement
Method	Details	Software
simulated annealing		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number
Conformers Submitted Total Number	1
Representative Model	(minimized average structure)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	2.1
2	collection	VNMR	6.1B
3	data analysis	Felix	97.0
4	structure solution	Discover	97.0
5	refinement	Discover		BIOSYM

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.