5DKH
Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with a hydroxyphenyl propenone inhibitor 17
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 | 2015-04-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 31 |
| Unit cell lengths | 63.997, 63.997, 89.160 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.710 - 1.700 |
| R-factor | 0.20112 |
| Rwork | 0.199 |
| R-free | 0.24144 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qy4 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.762 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.710 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.070 | 1.325 |
| Number of reflections | 45175 | |
| <I/σ(I)> | 18.6 | 2 |
| Completeness [%] | 99.8 | 96.8 |
| Redundancy | 10.4 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277.15 | 20% PEG 6K, 10% ethyleneglycol, 0.1 Hepes pH 7, 0.01M ZnCl2 |
