SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D HCCH-TOCSY1.0 mM [U-99% 13C; U-99% 15N] CaBP1, 10 mM TRIS, 50 mM sodium chloride90% H2O/10% D2O0.057.4ambient300
23D 1H-15N NOESY1.0 mM [U-99% 13C; U-99% 15N] CaBP1, 10 mM TRIS, 50 mM sodium chloride90% H2O/10% D2O0.057.4ambient300
33D 1H-13C NOESY1.0 mM [U-99% 13C; U-99% 15N] CaBP1, 10 mM TRIS, 50 mM sodium chloride90% H2O/10% D2O0.057.4ambient300
42D 1H-1H NOESY1.0 mM [U-99% 13C; U-99% 15N] CaBP1, 10 mM TRIS, 50 mM sodium chloride90% H2O/10% D2O0.057.4ambient300
52D 1H-1H TOCSY1.0 mM [U-99% 13C; U-99% 15N] CaBP1, 10 mM TRIS, 50 mM sodium chloride90% H2O/10% D2O0.057.4ambient300
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDRX600
NMR Refinement
MethodDetailsSoftware
simulated annealingxplor-NIH and YASAP protocolNMRPipe
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number50
Conformers Submitted Total Number15
Representative Model1 (closest to the average)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1processingNMRPipeDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
2refinementX-PLOR3.1Brunger, A.