5Z90
BRD4 Bromodomain 1 with an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2017-12-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9780 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.079, 47.695, 78.808 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.400 - 1.800 |
R-factor | 0.2113 |
Rwork | 0.208 |
R-free | 0.26430 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.963 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.400 | 1.864 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 12099 | |
<I/σ(I)> | 10.49 | |
Completeness [%] | 100.0 | |
Redundancy | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 4M sodium formate, 15% glycerol |