6LG7
Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-2030
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 | 2019-06-27 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.677, 47.569, 78.511 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.680 - 1.830 |
R-factor | 0.1943 |
Rwork | 0.192 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5z5t |
RMSD bond length | 0.007 |
RMSD bond angle | 0.845 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.680 | 1.898 |
High resolution limit [Å] | 1.830 | 1.832 |
Rmerge | 0.051 | 0.376 |
Number of reflections | 11264 | 1089 |
<I/σ(I)> | 36.47 | |
Completeness [%] | 99.7 | |
Redundancy | 12.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 10-15% glycerol, 4M sodium formate |