1R4H

NMR Solution structure of the IIIc domain of GB Virus B IRES Element


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D NOESY10 mM phosphate, 10 mM KCL, 0.05 mM EDTA pH 6.8, 90% H2O, 10% D2O90% H2O/10% D2O10 mM KCl6.8ambient298
22D TOCSY10 mM phosphate, 10 mM KCL, 0.05 mM EDTA pH 6.8, 90% H2O, 10% D2O90% H2O/10% D2O10 mM KCl6.8ambient298
3DQF-COSY10 mM phosphate, 10 mM KCL, 0.05 mM EDTA pH 6.8, 90% H2O, 10% D2O90% H2O/10% D2O10 mM KCl6.8ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianUNITYPLUS750
2VarianUNITYPLUS600
NMR Refinement
MethodDetailsSoftware
distance geometry simulated annealing restrained molecular dynamics complete relaxation matrixX-PLOR
NMR Ensemble Information
Conformer Selection Criteriastructures with acceptable covalent geometry,structures with favorable non-bond energy
Conformers Calculated Total Number10
Conformers Submitted Total Number1
Representative Model1 (minimized average structure)
Additional NMR Experimental Information
DetailsThis structure was determined using standard 2D homonuclear techniques.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementX-PLOR3.1BRUNGER, A
2data analysisFelix97BIOSYM