9IGD
Structure of human Bcl-xL in complex with small molecule inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-04 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 73.780, 73.780, 157.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.400 |
| R-factor | 0.18839 |
| Rwork | 0.186 |
| R-free | 0.22796 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.541 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.500 | 2.500 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 0.055 | 0.587 |
| Number of reflections | 18437 | 2774 |
| <I/σ(I)> | 22.3 | 2.7 |
| Completeness [%] | 99.1 | 95.1 |
| Redundancy | 9.3 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 284 | 4.0 M Na Formate, 0.1 M Na Acetate buffer pH 5.0 |
