4Z6I
Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 60.015, 29.458, 141.187 |
| Unit cell angles | 90.00, 92.24, 90.00 |
Refinement procedure
| Resolution | 28.840 - 1.950 |
| R-factor | 0.18372 |
| Rwork | 0.181 |
| R-free | 0.22989 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hme |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.069 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.840 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.033 | 0.123 |
| Number of reflections | 18127 | |
| <I/σ(I)> | 20.3 | 6.1 |
| Completeness [%] | 98.3 | 97.9 |
| Redundancy | 3.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277.15 | 0.1M MMT pH6, 30% PEG 1k |
