7RN2
Crystal structure of the first bromodomain of human BRD4 in complex with SJ001010551-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.477, 44.626, 78.416 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.070 - 1.050 |
| R-factor | 0.1654 |
| Rwork | 0.164 |
| R-free | 0.18440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mxf |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.433 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Refinement software | PHENIX (1.19rc5_4047) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.070 | 1.070 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.068 | |
| Number of reflections | 60488 | 2710 |
| <I/σ(I)> | 18.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 11 | |
| CC(1/2) | 0.992 | 0.783 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Bis-Tris, pH 6.8, 20% PEG3350, 15% ethylene glycol |
