7T3F
Development of BRD4 inhibitors as arsenicals antidotes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2020-09-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.913, 46.973, 77.593 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.370 - 1.280 |
| R-factor | 0.1208 |
| Rwork | 0.119 |
| R-free | 0.14460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wmd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.581 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.180 | 1.300 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.040 | 0.144 |
| Number of reflections | 33664 | 1732 |
| <I/σ(I)> | 27.4 | |
| Completeness [%] | 98.8 | |
| Redundancy | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 291 | 20% PEG 3350, 0.2 M ammonium acetate, 0.1 M HEPES, pH7.4 |
