4Z6H
Crystal structure of BRD9 bromodomain in complex with a valerolactam quinolone ligand
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 | 2013-06-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 71.233, 125.220, 29.775 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.970 - 1.800 |
R-factor | 0.22314 |
Rwork | 0.221 |
R-free | 0.27084 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hme |
RMSD bond length | 0.017 |
RMSD bond angle | 1.717 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.970 | 1.890 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.033 | 0.735 |
Number of reflections | 25694 | |
<I/σ(I)> | 25.4 | 2.4 |
Completeness [%] | 99.8 | 99.1 |
Redundancy | 6.4 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277.15 | 0.1 M PCB pH 8, 30% PEG1K |