5MQ1
Crystal structure of the BRD7 bromodomain in complex with BI-9564
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2016-09-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92819 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 66.870, 125.255, 37.353 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.420 - 1.500 |
R-factor | 0.16337 |
Rwork | 0.162 |
R-free | 0.19033 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | BRD9 in complex with TB-472 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.942 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.420 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 25529 | |
<I/σ(I)> | 10.4 | 2.1 |
Completeness [%] | 99.7 | 100 |
Redundancy | 6.6 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 20% PEG6000, 10%EDO, 0.1 M HEPES pH 7.0, 0.01 M ZnCl2 |