2O1Y

Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_13C-SEPARATED_NOESY50mM sodium phosphate buffer; 90% H2O, 10% D2O90% H2O/10% D2O50 mM sodium phosphate7.01 atm303
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDRX600
2BrukerDRX800
NMR Refinement
MethodDetailsSoftware
simulated annealingCNS
NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number
Conformers Submitted Total Number1
Representative Model1 (average-minimized)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementCNSBrunger A. T. etall