5HEM
Crystal structure of the N-terminus D161Y bromodomain 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 PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 68.730, 68.730, 113.364 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.670 - 1.650 |
| R-factor | 0.16823 |
| Rwork | 0.167 |
| R-free | 0.19888 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4alh |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.663 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.670 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.108 | 0.330 |
| Number of reflections | 33564 | |
| <I/σ(I)> | 13.8 | 4.1 |
| Completeness [%] | 99.7 | 95.5 |
| Redundancy | 6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 15% PEG3350, 0.1M bis-tris propane pH 6.6, 10% ethylene glycol, 0.15M sodium acetate |
