1JP0

NMR Structure of the LP5.1 Hairpin from Bacillus RNase P RNA Refined WITHOUT Residual Dipolar Couplings

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	13C-separated-NOESY (Mixing times of 200 and 250 ms)	1.0 mM PL5.1 hairpin RNA U-15N,13C, 20mM phosphate buffer NA	100% D2O	20 mM Sodium Phosphate	5.5	ambient	298
2	NOESY (Mixing times of 80 and 140 ms)	1.0 mM PL5.1 hairpin RNA U-15N,13C, 20mM phosphate buffer NA	100% D2O	20 mM Sodium Phosphate	5.5	ambient	298
3	HCCH-TOCSY	1.0 mM PL5.1 hairpin RNA U-15N,13C, 20mM phosphate buffer NA	100% D2O	20 mM Sodium Phosphate	5.5	ambient	298
4	HCCH-COSY	1.0 mM PL5.1 hairpin RNA U-15N,13C, 20mM phosphate buffer NA	100% D2O	20 mM Sodium Phosphate	5.5	ambient	298
5	13C-Hetero-TOCSY	1.0 mM PL5.1 hairpin RNA U-15N,13C, 20mM phosphate buffer NA	100% D2O	20 mM Sodium Phosphate	5.5	ambient	298

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

NMR Refinement
Method	Details	Software
torsion angle dynamics	residual dipolar coupling refinement were NOT used for this structure, see 1JOX.	CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	28
Representative Model	1 (closest to the average)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS	1.0	Brunger et. al
2	structure solution	CNS	1.0	Brunger et. al

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.