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 |
