1Q80

Solution structure and dynamics of Nereis sarcoplasmic calcium binding protein


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_15N-separated_NOESY1mM NSCP U-15N; 50mM Tris buffer, pH 6.5; 5mM CaCl2; 95% H2O, 5% D2O95% H2O/5% D2O5mM CaCl26.5ambient308
22D NOESY1mM NSCP U-15N; 50mM Tris buffer, pH 6.5; 5mM CaCl2; 95% H2O, 5% D2O95% H2O/5% D2O5mM CaCl26.5ambient308
3HMQCJ1mM NSCP U-15N; 50mM Tris buffer, pH 6.5; 5mM CaCl2; 95% H2O, 5% D2O95% H2O/5% D2O5mM CaCl26.5ambient308
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianUNITY500
NMR Refinement
MethodDetailsSoftware
distance geometry, simulated annealingThe structure calculation used 1859 NOE restraints, 188 hydrogen bond restraints and 262 dihedral angle restraintsDGII
NMR Ensemble Information
Conformer Selection Criteriastructures with the least restraint violations
Conformers Calculated Total Number17
Conformers Submitted Total Number17
Representative Model1 (closest to the average)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionDGII2Accelrys
2data analysisFelixI2000Accelrys
3structure solutionDiscover3Accelrys
4refinementDiscover3Accelrys