6I7X
Crystal Structure of the first bromodomain of BRD4 in complex with RT53
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 | 37.671, 44.795, 79.549 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.740 - 1.200 |
| R-factor | 0.1193 |
| Rwork | 0.119 |
| R-free | 0.13650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.744 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.740 | 28.831 | 1.260 |
| High resolution limit [Å] | 1.200 | 3.790 | 1.200 |
| Rmerge | 0.038 | 0.043 | 0.054 |
| Rmeas | 0.042 | 0.048 | 0.062 |
| Rpim | 0.017 | 0.020 | 0.029 |
| Number of reflections | 42878 | 1499 | 6124 |
| <I/σ(I)> | 32.9 | 11.1 | 13 |
| Completeness [%] | 99.9 | 99.5 | 99.3 |
| Redundancy | 5.8 | 5.7 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 20% PEG3350 10% ethylene glycol 0.1M bis-tris-propane pH 8.5 0.02M sodium/potassium phosphate |
