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 |