3ZYU
Crystal Structure of the first bromodomain of human BRD4 in complex with I-BET151(GSK1210151A)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.894, 59.542, 109.195 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 109.110 - 1.500 |
| R-factor | 0.16422 |
| Rwork | 0.162 |
| R-free | 0.20095 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.060 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.890 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.080 | 0.400 |
| Number of reflections | 44656 | |
| <I/σ(I)> | 10.7 | 3.6 |
| Completeness [%] | 97.5 | 95.9 |
| Redundancy | 7.1 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
