7LH7
Crystal structure of BCL-XL in complex with a benzothiazole-based inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9765 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 58.860, 88.910, 151.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.690 - 1.409 |
| R-factor | 0.186 |
| Rwork | 0.185 |
| R-free | 0.19860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6vwc |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.860 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.690 | 1.433 |
| High resolution limit [Å] | 1.409 | 1.409 |
| Number of reflections | 76281 | 3793 |
| <I/σ(I)> | 17.8 | |
| Completeness [%] | 99.1 | |
| Redundancy | 7.1 | |
| CC(1/2) | 1.000 | 0.789 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 4.2 | 290 | 20% (w/v) PEG 8000, 0.1 M phosphate-citrate pH 4.2, 0.2 M sodium chloride. The method was liquid-liquid counter diffusion |
