9AQZ
Crystal structure of Bcl-xL in complex with a small molecule inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 33.031, 78.389, 144.774 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.390 - 1.961 |
| R-factor | 0.2439 |
| Rwork | 0.243 |
| R-free | 0.26440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.780 |
| Data reduction software | autoPROC |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.8 (8-JUN-2022)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.387 | 1.995 |
| High resolution limit [Å] | 1.961 | 1.961 |
| Number of reflections | 13959 | 672 |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.998 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 290 | 1 M sodium acetate, 0.1 M HEPES pH 7.5, 0.05 M cadmium sulfate |
