5WUU
Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-21 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 31.981, 47.422, 78.836 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.637 - 1.724 |
R-factor | 0.1756 |
Rwork | 0.173 |
R-free | 0.20470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oss |
RMSD bond length | 0.007 |
RMSD bond angle | 0.865 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 40.640 |
High resolution limit [Å] | 1.724 |
Number of reflections | 13219 |
<I/σ(I)> | 24.07 |
Completeness [%] | 100.0 |
Redundancy | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 10-15% glycerol, 4M sodium formate |