6XV3
CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 3
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 | 2018-07-19 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 |
Unit cell lengths | 42.184, 58.955, 59.639 |
Unit cell angles | 105.25, 90.70, 97.94 |
Refinement procedure
Resolution | 36.150 - 1.470 |
R-factor | 0.261 |
Rwork | 0.259 |
R-free | 0.29000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oss |
RMSD bond length | 0.008 |
RMSD bond angle | 0.870 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.260 | 1.590 |
High resolution limit [Å] | 1.470 | 1.470 |
Number of reflections | 57389 | 2892 |
<I/σ(I)> | 9.3 | |
Completeness [%] | 82.1 | |
Redundancy | 1.8 | |
CC(1/2) | 0.998 | 0.579 |
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 |