2GDT

NMR Structure of the nonstructural protein 1 (nsp1) from the SARS coronavirus


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_13C-separated_NOESY2 mM nsp1-6; 25 mM NaPhosphate pH 7.0, 250 mM NaCl, 10% D2O25 mM NaPhosphate pH 7.0, 250 mM NaCl, 10% D2O25 mM sodium phosphate and 250 mM NaCl7.01 atm298
23D_15N-separated_NOESY2 mM nsp1-6; 25 mM NaPhosphate pH 7.0, 250 mM NaCl, 10% D2O25 mM NaPhosphate pH 7.0, 250 mM NaCl, 10% D2O25 mM sodium phosphate and 250 mM NaCl7.01 atm298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE600
2BrukerAVANCE800
NMR Refinement
MethodDetailsSoftware
ATNOS/CANDID/CYANAMolecular dynamics using cyana 1.0.3. Energy minimization in a water shell using OPALp with AMBER force field.TopSpin
NMR Ensemble Information
Conformer Selection Criteriatarget function
Conformers Calculated Total Number120
Conformers Submitted Total Number20
Representative Model1 (closest to the average)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1processingTopSpin1.3Bruker
2data analysisATNOS/CANDIDstandaloneHerrmann
3structure solutionCYANA1.0.3Guntert
4refinementOPALpLuginbuhl