6Q3Z
Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 30.151, 39.511, 55.721 |
| Unit cell angles | 84.38, 75.19, 89.96 |
Refinement procedure
| Resolution | 33.350 - 2.000 |
| R-factor | 0.1739 |
| Rwork | 0.172 |
| R-free | 0.23143 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.417 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.350 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.113 | 0.450 |
| Number of reflections | 15332 | 1078 |
| <I/σ(I)> | 6.7 | 3.4 |
| Completeness [%] | 91.9 | 88.4 |
| Redundancy | 3.1 | 3 |
| CC(1/2) | 0.579 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 25% PEG3350, 0.2M ammonium sulfate, 0.1M bis-tris pH6.5 |
