6E6J
BRD2_Bromodomain2 complex with inhibitor 744
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 |
| Unit cell lengths | 107.776, 107.776, 89.751 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.480 - 2.440 |
| R-factor | 0.212 |
| Rwork | 0.211 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.930 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 107.000 | 2.481 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Number of reflections | 38394 | |
| <I/σ(I)> | 14 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | Protein Buffer: 10 mM HEPES, pH 7.5, 300 mM NaCl, 0.5mM TCEP Reservoir: 20% PEG 8000, 0.2 M NaCl, 0.1 Cacodylate, pH 5.5 |
