1FYP

EUKARYOTIC DECODING REGION A-SITE RNA-PAROMOMYCIN COMPLEX

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	DQF-COSY	3 mM RNA, 3 mM paromomycin, 10 mM Naphosphate, pH 6.3, 13C/15N RNA	10% D2O/ 90% H2O; 100% D2O	10 mM	6.3	1 atm	308
2	3D_15N-separated_NOESY	3 mM RNA, 3 mM paromomycin, 10 mM Naphosphate, pH 6.3, 13C/15N RNA	10% D2O/ 90% H2O; 100% D2O	10 mM	6.3	1 atm	308
3	3D_13C-separated_NOESY	3 mM RNA, 3 mM paromomycin, 10 mM Naphosphate, pH 6.3, 13C/15N RNA	10% D2O/ 90% H2O; 100% D2O	10 mM	6.3	1 atm	308
4	2D NOESY	3 mM RNA, 3 mM paromomycin, 10 mM Naphosphate, pH 6.3, 13C/15N RNA	10% D2O/ 90% H2O; 100% D2O	10 mM	6.3	1 atm	308

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	500
2	Varian	INOVA	800

NMR Refinement
Method	Details	Software
simulated annealing molecular dynamics	605 NOEs, 122 dihedral constraints, and 36 hydrogen bonds	VNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations,structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	29
Representative Model	11 (n/a)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	VNMR	6.1
2	processing	VNMR	6.1
3	processing	Felix	98
4	refinement	X-PLOR	3.83	Brunger
5	structure solution	X-PLOR	3.83	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.