5HFR
Crystal structure of the second bromodomain H395R mutant of human BRD3
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 2 21 |
| Unit cell lengths | 64.828, 92.546, 102.954 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.550 - 1.700 |
| R-factor | 0.195 |
| Rwork | 0.194 |
| R-free | 0.22086 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oo1 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.486 |
| 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] | 29.550 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.234 | 2.483 |
| Number of reflections | 68935 | |
| <I/σ(I)> | 13 | 2.7 |
| Completeness [%] | 99.3 | 87.4 |
| Redundancy | 12.7 | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2 M sodium nitrate, 10 % PEG 3350, 5 % EDO, 0.1 M bis tris prop. pH 6.5 |
