1CQL

NMR STRUCTURE OF SRP RNA DOMAIN IV

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	0.25 - 1.2 mM RNA 10 mM potassium phoshpate 10 mM magnesium chloride pH 6.5	D2O		6.5	ambient	288
2	3D_13C-separated_NOESY	0.25 - 1.2 mM RNA 10 mM potassium phoshpate 10 mM magnesium chloride pH 6.5	D2O		6.5	ambient	288
3	DQF-COSY	0.25 - 1.2 mM RNA 10 mM potassium phoshpate 10 mM magnesium chloride pH 6.5	D2O		6.5	ambient	288
4	TOCSY	0.25 - 1.2 mM RNA 10 mM potassium phoshpate 10 mM magnesium chloride pH 6.5	D2O		6.5	ambient	288
5	3D HCCH-TOCSY	0.25 - 1.2 mM RNA 10 mM potassium phoshpate 10 mM magnesium chloride pH 6.5	D2O		6.5	ambient	288
6	3D HCCH-COSY	0.25 - 1.2 mM RNA 10 mM potassium phoshpate 10 mM magnesium chloride pH 6.5	D2O		6.5	ambient	288

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

NMR Refinement
Method	Details	Software
TORSION ANGLE DYNAMICS RESTRAINED MOLECULAR DYNAMICS COMPLETE RELAXATION MATRIX ANALYSIS	16.4 DISTANCE RESTRAINTS/RESIDUE	Sparky

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations in the crucial areas ot the molecule
Conformers Calculated Total Number	50
Conformers Submitted Total Number	10

Additional NMR Experimental Information
Details	G- AND A-SINGLE NUCLEOTIDE ISOTOPE LABELED SAMPLES WERE USED BESIDES A UNIFORMLY LABELED RNA

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	Sparky	92	D.Kneller, T.Goddard
2	structure solution	MARDIGRAS	92	He Liu, B.Borgias, M.Tonelli
3	refinement	DYANA	1.4	P. Guentert
4	structure solution	Amber	4.1	D.A. Pearlman et al.
5	structure solution	Curves	3.0	R. Lavery

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.