5BT4
Crystal structure of BRD4 first bromodomain in complex with SGC-CBP30 chemical probe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.923, 91.801, 113.761 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.440 - 1.500 |
| R-factor | 0.19235 |
| Rwork | 0.191 |
| R-free | 0.21425 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.422 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.440 | 1.520 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.098 | 0.426 |
| Number of reflections | 71462 | |
| <I/σ(I)> | 14.4 | 4.8 |
| Completeness [%] | 99.6 | 92.8 |
| Redundancy | 9.7 | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M succinic acid, 20% PEG 3350 |
