5BT5
Crystal structure of BRD2 second 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 | 2014-06-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 52.761, 71.806, 31.996 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.520 - 1.400 |
| R-factor | 0.16078 |
| Rwork | 0.160 |
| R-free | 0.18204 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.565 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.520 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.079 | 0.165 |
| Number of reflections | 24507 | |
| <I/σ(I)> | 22.3 | 11.6 |
| Completeness [%] | 99.3 | 95.9 |
| Redundancy | 9.2 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2 M sodium/potassium tartrate, 20% PEG 3350, 10% ethylene glycol |
