1T28

High resolution structure of a picornaviral internal cis-acting replication element

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	1.4 mM RNA U-15N,13C, 10 mM phosphate buffer (pH 6.8), 10 mM KCl, 0.02 mM EDTA, 90% H2O, 10% D2O	90% H2O/10% D2O		6.8	ambient	298
2	3D_13C-separated_NOESY	1.4 mM RNA U-15N,13C, 10 mM phosphate buffer (pH 6.8), 10 mM KCl, 0.02 mM EDTA, 90% H2O, 10% D2O	90% H2O/10% D2O		6.8	ambient	298
3	15N, and 13C HSQC	1.4 mM RNA U-15N,13C, 10 mM phosphate buffer (pH 6.8), 10 mM KCl, 0.02 mM EDTA, 90% H2O, 10% D2O	90% H2O/10% D2O		6.8	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	UNITYPLUS	600
2	Varian	UNITYPLUS	750

NMR Refinement
Method	Details	Software
distance geometry, molecular dynamics, simulated annealing		Felix

NMR Ensemble Information
Conformer Selection Criteria	averaged structure
Conformers Calculated Total Number	18
Conformers Submitted Total Number	1
Representative Model	1 (minimized average structure)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	Felix	2000	MSI
2	refinement	X-PLOR	3.1	Brunger, A.T., 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.