5MQ1
Crystal structure of the BRD7 bromodomain in complex with BI-9564
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2016-09-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 66.870, 125.255, 37.353 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.420 - 1.500 |
| R-factor | 0.16337 |
| Rwork | 0.162 |
| R-free | 0.19033 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | BRD9 in complex with TB-472 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.942 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.420 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 25529 | |
| <I/σ(I)> | 10.4 | 2.1 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 6.6 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 20% PEG6000, 10%EDO, 0.1 M HEPES pH 7.0, 0.01 M ZnCl2 |
