8Q34
Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-19 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 37.239, 44.093, 78.479 |
| Unit cell angles | 90.03, 90.00, 90.03 |
Refinement procedure
| Resolution | 78.479 - 1.480 |
| Rwork | 0.184 |
| R-free | 0.21640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 2.905 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.479 | 1.506 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Number of reflections | 75591 | 2090 |
| <I/σ(I)> | 5.7 | |
| Completeness [%] | 90.9 | 51.3 |
| Redundancy | 3.4 | |
| CC(1/2) | 0.994 | 0.394 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 20% PEG6000 -- 10% ethylene glycol -- 0.1M HEPES pH 7.0 -- 0.2M sodium chloride |
