SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D 1H-15N NOESY0.6 mM [U-100% 13C; U-100% 15N] entity_1-1, 0.9 mM entity_2-290% H2O/10% D2O0.16.8ambient atm300
23D 1H-15N NOESY0.9 mM entity_1-3, 0.6 mM [U-100% 13C; U-100% 15N] entity_2-490% H2O/10% D2O0.16.8ambient atm300
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE800
NMR Refinement
MethodDetailsSoftware
simulated annealingstandard protocolX-PLOR NIH
NMR Ensemble Information
Conformer Selection Criteriastructures with the least restraint violations
Conformers Calculated Total Number100
Conformers Submitted Total Number15
Representative Model1 (fewest violations)
Additional NMR Experimental Information
Detailsfull list to be completed
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementX-PLOR NIHSchwieters, Kuszewski, Tjandra and Clore