6XUZ
CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-26 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000040 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.857, 48.287, 57.885 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.080 - 1.070 |
| R-factor | 0.1784 |
| Rwork | 0.177 |
| R-free | 0.20110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.950 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC (1.1.7) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.080 | 1.144 |
| High resolution limit [Å] | 1.070 | 1.070 |
| Rmerge | 0.113 | 1.449 |
| Number of reflections | 40107 | 2441 |
| <I/σ(I)> | 10.7 | 1.7 |
| Completeness [%] | 76.4 | 21.4 |
| Redundancy | 8.4 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 29% PEG 3350, 0.2 M disodium malonate, 0.1 M HEPES |
