1NC0

U80G U6 Intramolecular Stem-Loop RNA from Saccharomyces cerevisiae

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	U80G U6 ISL	90% D2O, 10% H2O		6.5		283
2	2D NOESY	U80G U6 ISL	99% D2O		6.5		303
3	2D TOCSY	U80G U6 ISL	99% D2O		6.5		303
4	2D H-13C HSQC 13C coupled	U80G U6 ISL-13C/15N	90% D2O, 10% H2O		6.5		303
5	2D H-13C HSQC 13C coupled	U80G U6 ISL-13C/15N, 17 mg/mL pf1 phage	90% D2O, 10% H2O		6.5		303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DMX	500
2	Bruker	DMX	600
3	Bruker	DMX	750
4	Bruker	DMX	400

NMR Refinement
Method	Details	Software
torsion angle dynamics molecular dynamics residual dipolar couplings	The structures are based on 474 NOE derived distance constraints, 179 dihedral angle restraints, and 24 restraints from hydrogen bonds.	CNS

NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number
Conformers Submitted Total Number	18

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	CNS	1.1	Brunger, A.T. et. al.
2	refinement	X-PLOR	3.843	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.