5Z5U
The first bromodomain of BRD4 with compound BDF-2254
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-17 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.006, 47.276, 78.794 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.539 - 1.631 |
R-factor | 0.186 |
Rwork | 0.184 |
R-free | 0.21520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5h21 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.781 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.540 | 1.689 |
High resolution limit [Å] | 1.631 | 1.631 |
Number of reflections | 15497 | |
<I/σ(I)> | 21.69 | |
Completeness [%] | 100.0 | |
Redundancy | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 10-15% glycerol, 4M sodium formate |