5FG6
Crystal structure of the bromodomain of human BRD1 (BRPF2) in complex with OF-1 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 | C 2 2 21 |
| Unit cell lengths | 70.771, 84.328, 52.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.270 - 1.100 |
| R-factor | 0.18173 |
| Rwork | 0.181 |
| R-free | 0.19671 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rcw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.461 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.270 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.070 | 0.168 |
| Number of reflections | 62094 | |
| <I/σ(I)> | 22 | 6.4 |
| Completeness [%] | 97.9 | 79.1 |
| Redundancy | 9.1 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 0.1 M tri-sodium citrate dihydrate pH 5.6, 1 M ammoinum dihydrogen phosphate |
