2U2A

STEM LOOP IIA FROM U2 SNRNA OF SACCHAROMYCES CEREVISIAE, NMR, MINIMIZED AVERAGE STRUCTURE

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	NOESY(D2O)			75 mM	7.6	1 ATM SOLVENT SYSTEM : 10MM KH2PO4, 50 MM KCL, 15 MM NACL, 0.5 MM EDTA atm	303
2	NOESY(H2))			75 mM	7.6	1 ATM SOLVENT SYSTEM : 10MM KH2PO4, 50 MM KCL, 15 MM NACL, 0.5 MM EDTA atm	303
3	DQF-COSY			75 mM	7.6	1 ATM SOLVENT SYSTEM : 10MM KH2PO4, 50 MM KCL, 15 MM NACL, 0.5 MM EDTA atm	303
4	HP-COSY			75 mM	7.6	1 ATM SOLVENT SYSTEM : 10MM KH2PO4, 50 MM KCL, 15 MM NACL, 0.5 MM EDTA atm	303
5	HCP SPIN-ECHO DIFFERENCE			75 mM	7.6	1 ATM SOLVENT SYSTEM : 10MM KH2PO4, 50 MM KCL, 15 MM NACL, 0.5 MM EDTA atm	303
6	CH CT-HSQC			75 mM	7.6	1 ATM SOLVENT SYSTEM : 10MM KH2PO4, 50 MM KCL, 15 MM NACL, 0.5 MM EDTA atm	303
7	3D HCCH-TOCSY			75 mM	7.6	1 ATM SOLVENT SYSTEM : 10MM KH2PO4, 50 MM KCL, 15 MM NACL, 0.5 MM EDTA atm	303
8	3D HCCH-TOCSY			75 mM	7.6	1 ATM SOLVENT SYSTEM : 10MM KH2PO4, 50 MM KCL, 15 MM NACL, 0.5 MM EDTA atm	303
9	HCCH-COSY			75 mM	7.6	1 ATM SOLVENT SYSTEM : 10MM KH2PO4, 50 MM KCL, 15 MM NACL, 0.5 MM EDTA atm	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	GE	OMEGA500	500
2	Varian	UNITY+600	600

NMR Refinement
Method	Details	Software
molecular dynamics	REFINEMENT WAS DONE USING TORSION ANGLE MOLECULAR DYNAMICS. DETAILS OF THE PROTOCOL CAN BE FOUND IN THE STRUCTURE CITATION ABOVE.	X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	LEAST RESTRAINT VIOLATIONS
Conformers Calculated Total Number	15
Conformers Submitted Total Number	1

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	X-PLOR	3.851	BRUNGER
2	structure solution	FELIX95
3	structure solution	XPLOR3.851

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.