7WWZ
BRD4-BD1 complexed with NEO2734
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-27 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97919 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.941, 46.070, 61.441 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.660 - 1.160 |
R-factor | 0.1758 |
Rwork | 0.175 |
R-free | 0.19130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mxf |
RMSD bond length | 0.011 |
RMSD bond angle | 1.871 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 34.660 | 34.640 | 1.200 |
High resolution limit [Å] | 1.160 | 5.070 | 1.160 |
Rmerge | 0.041 | 0.014 | 0.126 |
Rmeas | 0.044 | 0.017 | 0.177 |
Rpim | 0.016 | 0.010 | 0.125 |
Total number of observations | 2398 | 507 | |
Number of reflections | 32252 | 560 | 286 |
<I/σ(I)> | 30.5 | 68.2 | 3.1 |
Completeness [%] | 77.6 | 95.5 | 9.2 |
Redundancy | 8 | 4.3 | 1.8 |
CC(1/2) | 0.999 | 0.997 | 0.927 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6 | 289 | PEG3350, NaNO3, ethylene glycol |