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 |