1F84

SOLUTION STRUCTURE OF HCV IRES RNA DOMAIN IIID


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1P31-decoupled DQF COSY, HP COSY, D2O NOESY, H2O NOESY1.5mM RNA, non-isotopically labelled10mM sodium phosphate buffer, pH 6.40 96% H2O, 4% D2O or 100% D2O10mM6.40ambient283
2P31-decoupled DQF COSY, HP COSY, D2O NOESY, H2O NOESY1.5mM RNA, non-isotopically labelled10mM sodium phosphate buffer, pH 6.40 96% H2O, 4% D2O or 100% D2O10mM6.40ambient298
33D HCP, 3D HMQC-TOCSY, 3D C13-edited NOESY1mM RNA, U-15N,13C10mM sodium phosphate buffer, pH 6.40 96% H2O, 4% D2O or 100% D2O10mM6.40ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA500
2VarianINOVA800
NMR Refinement
MethodDetailsSoftware
Simulated annealing and restrained molecular dynamicsSEE REFERENCE ABOVEX-PLOR
NMR Ensemble Information
Conformer Selection Criteriastructures with the least restraint violations,structures with the lowest energy
Conformers Calculated Total Number100
Conformers Submitted Total Number25
Representative Model21 (closest to the average)
Additional NMR Experimental Information
DetailsTHE STRUCTURE WAS DETERMINED USING TRIPLE RESONANCE HCN AND HCP EXPERIMENTS ON N15,C13-LABELLED RNA
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementX-PLOR3.1Brunger
2data analysisSparky3.8Goddard