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 |