6VIZ
BRD4_Bromodomain1 complex with pyrrolopyridone compound 27
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 | 2014-07-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 141.430, 141.430, 134.050 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 122.480 - 2.391 |
| R-factor | 0.209 |
| Rwork | 0.208 |
| R-free | 0.21660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5uvw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.930 |
| Data reduction software | XDS |
| Refinement software | BUSTER (2.11.7 (29-NOV-2019)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 122.482 | 2.432 |
| High resolution limit [Å] | 2.391 | 2.391 |
| Rmerge | 0.089 | 1.582 |
| Number of reflections | 31667 | 1552 |
| <I/σ(I)> | 24.1 | 2.2 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 19.5 | 19.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 2.0M Na Formate, 0.1M Bis-Tris Propane, pH 7.0 |
