9IGB
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 | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.600, 67.890, 67.400 |
| Unit cell angles | 90.00, 96.42, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.340 |
| R-factor | 0.22229 |
| Rwork | 0.219 |
| R-free | 0.28643 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.374 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.700 | 3.430 |
| High resolution limit [Å] | 3.340 | 3.340 |
| Rmerge | 0.184 | 0.496 |
| Number of reflections | 7007 | 512 |
| <I/σ(I)> | 5.2 | 2.3 |
| Completeness [%] | 89.9 | 89.8 |
| Redundancy | 2.1 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 284 | 2.5 M Na Formate, 0.1 M Na Acetate buffer pH 4.5 |
