8WIU
Bromodomain and Extra-terminal Domain (BET) BRD4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-21 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.879, 47.225, 78.002 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.020 - 1.400 |
R-factor | 0.2132 |
Rwork | 0.211 |
R-free | 0.23560 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.930 |
Data scaling software | Aimless |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.000 | 1.470 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.082 | 0.469 |
Rmeas | 0.086 | 0.502 |
Rpim | 0.024 | 0.173 |
Total number of observations | 23505 | |
Number of reflections | 46705 | 3036 |
<I/σ(I)> | 14.4 | 2.7 |
Completeness [%] | 97.5 | |
Redundancy | 11.7 | 7.7 |
CC(1/2) | 0.999 | 0.954 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M Ammonium acetate, 0.1 M BIS-TRIS pH 5.5, 18-28% w/v Polyethylene glycol 3,350 |