5AD3
Bivalent binding to BET bromodomains
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 | 2014-02-20 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 109.640, 41.826, 59.591 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.800 - 1.490 |
| R-factor | 0.271 |
| Rwork | 0.269 |
| R-free | 0.30810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.360 | 1.570 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.100 | 0.660 |
| Number of reflections | 45639 | |
| <I/σ(I)> | 11.2 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.9 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | PEG 4K 20%W/V, (NH4)2HPO4 0.2M |
