1Y7X

Solution structure of a two-repeat fragment of major vault protein


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_15N-separated_NOESY1mM MVP U-15N, 20mM bis-Tris, 150mM NaCl, 2mM CaCl2, 15mM DTT, 90% H2O, 10% D2O90% H2O/10% D2O150mM NaCl6.8ambient303
2HNHA1mM MVP U-15N, 20mM bis-Tris, 150mM NaCl, 2mM CaCl2, 15mM DTT, 90% H2O, 10% D2O90% H2O/10% D2O150mM NaCl6.8ambient303
32D NOESY1mM MVP, 20mM bis-Tris, 150mM NaCl, 2mM CaCl2, 15mM DTT, 90% H2O, 10% D2O90% H2O/10% D2O150mM NaCl6.8ambient303
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDRX500
NMR Refinement
MethodDetailsSoftware
simulated annealingThe structures are based on a total of 1083 restraints, 930 are NOE-derived distance constraints, 124 dihedral angle restraints, 29 distance restraints from hydrogen bonds.XwinNMR
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number100
Conformers Submitted Total Number20
Representative Model1 (lowest energy)
Additional NMR Experimental Information
DetailsThis structure was determined using standard triple-resonance and homonuclear techniques.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionXwinNMR2.1Bruker Biospin
2processingXwinNMR2.1Bruker Biospin
3data analysisXEASY1.3.13Wuthrich
4structure solutionCYANA1.0.6Guentert
5refinementXplor-NIH2.9.2Clore