1YSG

Solution Structure of the Anti-apoptotic Protein Bcl-xL in Complex with "SAR by NMR" Ligands


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_13C-separated_NOESY1 mM Bcl-xL U-15N,13C; 50 mM sodium phosphate, 5 mM deuterated dithiothreitol100% D2O50 mM7.0ambient303
23D_13C-edited_12C-filtered_NOESY1 mM Bcl-xL U-15N,13C; 50 mM sodium phosphate, 5 mM deuterated dithiothreitol100% D2O50 mM7.0ambient303
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDRX600
NMR Refinement
MethodDetailsSoftware
simulated annealingX-PLOR
NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number
Conformers Submitted Total Number1
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementX-PLOR3.1Brunger