2GRI

NMR Structure of the SARS-CoV non-structural protein nsp3a


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_13C-separated_NOESY1-2.5 mM nsp3a(1-112) 15N,13C; 50 mM phosphate buffer, pH 6.5, 150mM NaCl; 90% H2O, 10% D2O90% H2O/10% D2O150 mM NaCl, 50 mM sodium phosphate6.5ambient298
23D_15N-separated_NOESY1-2.5 mM nsp3a(1-112) 15N,13C; 50 mM phosphate buffer, pH 6.5, 150mM NaCl; 90% H2O, 10% D2O90% H2O/10% D2O150 mM NaCl, 50 mM sodium phosphate6.5ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE600
2BrukerDRX750
3BrukerAVANCE800
NMR Refinement
MethodDetailsSoftware
torsion angle dynamicsTopSpin
NMR Ensemble Information
Conformer Selection Criteriatarget function
Conformers Calculated Total Number80
Conformers Submitted Total Number20
Representative Model1 (fewest violations)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionTopSpin1.3
2processingTopSpin1.3
3structure solutionATNOS/CANDID/CYANA1.0Herrmann
4data analysisCARA1.4Keller
5refinementOPALp1.0Gunterd