SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N HSQC1 mM [U-100% 13C; U-100% 15N] SSRB90% H2O/10% D2O506.5ambient295
23D HNCACB1 mM [U-100% 13C; U-100% 15N] SSRB90% H2O/10% D2O506.5ambient295
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDMX800
2BrukerDMX900
NMR Refinement
MethodDetailsSoftware
DGSA-distance geometry simulated annealingDYANA
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number100
Conformers Submitted Total Number20
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionDYANAGuntert, Braun and Wuthrich
2refinementDYANAGuntert, Braun and Wuthrich