9IGG
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 I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.510, 68.590, 60.060 |
| Unit cell angles | 90.00, 96.55, 90.00 |
Refinement procedure
| Resolution | 25.001 - 1.500 |
| Rwork | 0.198 |
| R-free | 0.23290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.633 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.600 | 1.520 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.043 | 0.576 |
| Rmeas | 0.053 | 0.766 |
| Rpim | 0.031 | 0.500 |
| Total number of observations | 109426 | |
| Number of reflections | 43007 | 2980 |
| <I/σ(I)> | 13 | 1.2 |
| Completeness [%] | 95.7 | |
| Redundancy | 2.5 | 1.9 |
| CC(1/2) | 0.998 | 0.655 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 284 | 0.2 M Ca Acetate, 0.1 M Na Acetate buffer pH 5.5, 10 % PegMME550, 10% Peg3350 |
