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 |
