6I7Y
Crystal Structure of the first bromodomain of BRD4 in complex with RT56
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.738, 44.739, 79.563 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.850 - 1.000 |
| R-factor | 0.1251 |
| Rwork | 0.125 |
| R-free | 0.13070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.906 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.850 | 27.379 | 1.050 |
| High resolution limit [Å] | 1.000 | 3.160 | 1.000 |
| Rmerge | 0.036 | 0.027 | 0.263 |
| Rmeas | 0.040 | 0.030 | 0.304 |
| Rpim | 0.016 | 0.012 | 0.150 |
| Number of reflections | 73523 | 2531 | 10583 |
| <I/σ(I)> | 22.8 | 19.3 | 2.9 |
| Completeness [%] | 99.9 | 99.5 | 99.7 |
| Redundancy | 5.8 | 5.8 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG3350 10% ethylene glycol 0.1M bis-tris-propane pH 7.5 0.2M sodium sulfate |
