1F5U

SOLUTION STRUCTURE OF THE KISSING DIMER OF H3 GACG STEM-LOOP IN THE 5'-END DIMERIZATION SIGNAL OF MOLONEY MURINE LEUKEMIA VIRUS GENOMIC RNA

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	2 mM RNA sample, 10mM Sodium phosphate buffer pH 6.5, 100mM Sodium Chloride, 0.1 mM EDTA	90% H2O/10% D2O	100 mM NaCl	6.5	ambient	293
2	DQF-COSY	2 mM RNA sample, 10mM Sodium phosphate buffer pH 6.5, 100mM Sodium Chloride, 0.1 mM EDTA	90% H2O/10% D2O	100 mM NaCl	6.5	ambient	293
3	2D NOESY	2 mM RNA sample, 10mM Sodium phosphate buffer pH 6.5, 100mM Sodium Chloride, 0.1 mM EDTA	99.96 % D2O	100mM NaCl	6.5	ambient	283
4	DQF-COSY	2 mM RNA sample, 10mM Sodium phosphate buffer pH 6.5, 100mM Sodium Chloride, 0.1 mM EDTA	99.96 % D2O	100mM NaCl	6.5	ambient	283

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AMX	600
2	Bruker	DRX	500

NMR Refinement
Method	Details	Software
simulated annealing	The structure is based on a total of 852 restraints, 528 NOE-derived distance constraints, 324 dihedral constraints	UXNMR

NMR Ensemble Information
Conformer Selection Criteria	averaged and energy-minimized structure based on 19 converged structures
Conformers Calculated Total Number	19
Conformers Submitted Total Number	1
Representative Model	1 (averaged and energy-minimized structure based on 19 converged structures)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	UXNMR	910901	Bruker
2	collection	XwinNMR		Bruker
3	data analysis	Felix	95.0
4	structure solution	X-PLOR	3.1	Axel Brunger
5	refinement	X-PLOR	3.1	Axel 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.