5N2M
Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-11-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.797, 42.090, 92.576 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.750 - 1.540 |
| R-factor | 0.19856 |
| Rwork | 0.197 |
| R-free | 0.23018 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.563 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.750 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.200 | 0.512 |
| Rpim | 0.349 | |
| Number of reflections | 22744 | 886 |
| <I/σ(I)> | 6.7 | 4.7 |
| Completeness [%] | 98.8 | 81.1 |
| Redundancy | 6 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2 M NH4SO4, 25% PEG3350, 0.1M Tris pH 8.5 |
