8WQO
Crystal structure of BRD4-BD1 bound with DI106
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-27 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.523, 46.314, 77.251 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.630 - 1.130 |
R-factor | 0.1992 |
Rwork | 0.199 |
R-free | 0.21220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.060 |
Data scaling software | Aimless |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.630 | 1.190 |
High resolution limit [Å] | 1.130 | 1.130 |
Rmerge | 0.061 | 0.232 |
Rmeas | 0.064 | 0.269 |
Rpim | 0.019 | 0.132 |
Total number of observations | 8351 | |
Number of reflections | 80245 | 2095 |
<I/σ(I)> | 29.1 | 6.4 |
Completeness [%] | 83.5 | |
Redundancy | 10.9 | 4 |
CC(1/2) | 0.997 | 0.963 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 3.4 M sodium formate and 10 % glycerol |