5HFQ
Crystal structure of the second bromodomain Q443H mutant of human BRD2
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 | 2014-04-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 32.017, 52.813, 72.305 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.280 - 1.400 |
| R-factor | 0.16771 |
| Rwork | 0.167 |
| R-free | 0.18532 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dvv |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.306 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.280 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.040 | 0.063 |
| Number of reflections | 24828 | |
| <I/σ(I)> | 48.5 | 20 |
| Completeness [%] | 99.7 | 95.8 |
| Redundancy | 12.3 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 2% (v/v) dioxane, 10% PEG 20000, 0.1M bicine pH 9 |
