5J0D
Crystal structure of the bromodomain of human CREBBP in complex with a benzoxazepine compound
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 | 2014-12-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.913, 34.848, 40.267 |
| Unit cell angles | 90.00, 92.32, 90.00 |
Refinement procedure
| Resolution | 29.380 - 1.050 |
| R-factor | 0.17917 |
| Rwork | 0.178 |
| R-free | 0.19736 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dwy |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.585 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.380 | 1.070 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.062 | 0.464 |
| Number of reflections | 52073 | |
| <I/σ(I)> | 10.5 | 2.1 |
| Completeness [%] | 89.3 | 35.5 |
| Redundancy | 3 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 277 | 25% PEG3350, 0.2 M MgCl2, 0.1M BisTris pH 7.5 |
