5OVB
Crystal structure of human BRD4(1) bromodomain in complex with DR46
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-09 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000040 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.932, 41.730, 59.624 |
| Unit cell angles | 90.00, 101.17, 90.00 |
Refinement procedure
| Resolution | 46.750 - 1.950 |
| R-factor | 0.1558 |
| Rwork | 0.152 |
| R-free | 0.19310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.892 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.750 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.039 | 0.155 |
| Number of reflections | 21485 | 1241 |
| <I/σ(I)> | 20.7 | |
| Completeness [%] | 97.9 | 81.2 |
| Redundancy | 3.9 | 2.7 |
| CC(1/2) | 0.999 | 0.971 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M TRIS, pH 8.5, 0.2 M Ca Acet, 25% PEG 2K MME |
