1LMV

Solution structure of the unmodified U2 snRNA-intron branch site helix from S. cerevisiae

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	1mM unmodified U2 snNRA - intron branch site duplex, 10mM sodium phosphate, 0.1mM EDTA	90% H2O/10% D2O	50mM sodium chloride	6.4	ambient	278
2	2D NOESY	1mM unmodified U2 snNRA - intron branch site duplex, 10mM sodium phosphate, 0.1mM EDTA	100% D2O	50mM sodium chloride	6.4	ambient	293
3	2D TOCSY	1mM unmodified U2 snNRA - intron branch site duplex, 10mM sodium phosphate, 0.1mM EDTA	100% D2O	50mM sodium chloride	6.4	ambient	293
4	DQF-COSY	1mM unmodified U2 snNRA - intron branch site duplex, 10mM sodium phosphate, 0.1mM EDTA	100% D2O	50mM sodium chloride	6.4	ambient	293

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	UNITYPLUS	720

NMR Refinement
Method	Details	Software
torsion angle molecular dynamics, followed by congugate gradient minimization		VNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	300
Conformers Submitted Total Number	10
Representative Model	2 (lowest energy)

Additional NMR Experimental Information
Details	This structure was determined using standard 2D homonuclear techniques. NOESY spectra were collected at many different mixing times to assess the buildup rate of each NOE, thereby resolving some of the spectral overlap.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	VNMR	5.3	Varian, Inc.
2	data analysis	Sparky	3.69	T.D. Goddard and D.G. Kneller
3	structure solution	X-PLOR	3.851	Brunger
4	refinement	X-PLOR	3.851	Brunger

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.