5IGN
Crystal structure of human BRD9 bromodomain in complex with LP99 chemical probe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 28.527, 39.496, 212.439 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.930 - 1.700 |
| R-factor | 0.21214 |
| Rwork | 0.211 |
| R-free | 0.24282 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hme |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.661 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.930 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.126 | 0.708 |
| Number of reflections | 27716 | |
| <I/σ(I)> | 15.5 | 3.2 |
| Completeness [%] | 99.8 | 97.3 |
| Redundancy | 9.6 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2 M sodium nitrate, 0.1 M bis tris propane pH 8.5, 20% PEG 3350, 10% ethylene glycol |
