4C5D
Crystal structure of Bcl-xL in complex with benzoylurea compound (42)
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 | 2009-03-04 |
| Detector | ADSC QUANTUM 210r |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 64.138, 64.138, 132.376 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.125 - 2.300 |
| R-factor | 0.1699 |
| Rwork | 0.166 |
| R-free | 0.24160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c52 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.306 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.250 | 1.390 |
| Number of reflections | 14561 | |
| <I/σ(I)> | 11.27 | 1.66 |
| Completeness [%] | 99.8 | 98.9 |
| Redundancy | 10.3 | 7.88 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 1.1 M (NH4)2SO4, 0.1 M MES PH 6.5, 25% (V/V) ETHYLENE GLYCOL |
