1IDV

NMR structure of HCV ires RNA domain IIIC


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D NOESY10 mM Sodium Phosphate buffer, 10 mM KCl, 0.05 mM EDTA, pH 6.890% H2O/10% D2O10 mM KCl6.8ambient283
22D NOESY10 mM Sodium Phosphate buffer, 10 mM KCl, 0.05 mM EDTA, pH 6.899.996% D2O10 mM KCl6.8ambient298
3DQF-COSY10 mM Sodium Phosphate buffer, 10 mM KCl, 0.05 mM EDTA, pH 6.899.996% D2O10 mM KCl6.8ambient298
42D TOCSY10 mM Sodium Phosphate buffer, 10 mM KCl, 0.05 mM EDTA, pH 6.899.996% D2O10 mM KCl6.8ambient298
531P Hetero-TOCSY10 mM Sodium Phosphate buffer, 10 mM KCl, 0.05 mM EDTA, pH 6.899.996% D2O10 mM KCl6.8ambient298
61H-13C HSQC10 mM Sodium Phosphate buffer, 10 mM KCl, 0.05 mM EDTA, pH 6.899.996% D2O10 mM KCl6.8ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianUNITYPLUS750
2VarianUNITYPLUS600
NMR Refinement
MethodDetailsSoftware
simulated annealing molecular dynamics relaxation matrix analysisThe structures are based on 254 NOE restraints, 12 sugar pucker restraints and 9 hydrogen bondsX-PLOR
NMR Ensemble Information
Conformer Selection Criteriaback calculated data agree with experimental NOESY spectrum
Conformers Calculated Total Number20
Conformers Submitted Total Number10
Representative Model10 (fewest noe violations)
Additional NMR Experimental Information
DetailsThis structure was determined using standard 2D homonuclear techniques.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementX-PLOR3.1BRUNGER
2refinementMORASS2.51POST, MEADOWS, LUXON and GORENSTEIN