4TUH
Bcl-xL in complex with inhibitor (Compound 10)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-14 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95364 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.834, 109.661, 102.099 |
| Unit cell angles | 90.00, 91.77, 90.00 |
Refinement procedure
| Resolution | 31.370 - 1.800 |
| R-factor | 0.174 |
| Rwork | 0.172 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.155 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.053 | 0.844 |
| Number of reflections | 119276 | |
| <I/σ(I)> | 15.2 | |
| Completeness [%] | 98.3 | 96.3 |
| Redundancy | 6.7 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2 M Mg Acetate, 4% DMSO, 20% PEG3350, 0.1 M Hepes, pH 6.5 |
