7RMD
Crystal structure of the first bromodomain of human BRD4 in complex with SJ001011461-1
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 | 2021-06-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.634, 44.740, 78.236 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.120 - 1.180 |
| R-factor | 0.1544 |
| Rwork | 0.153 |
| R-free | 0.17350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mxf |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.730 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER (1.19rc5_4047) |
| Refinement software | PHENIX (1.19rc5_4047) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.120 | 1.222 |
| High resolution limit [Å] | 1.180 | 1.180 |
| Rmerge | 0.361 | |
| Number of reflections | 42281 | 3600 |
| <I/σ(I)> | 22.09 | |
| Completeness [%] | 98.2 | 85.3 |
| Redundancy | 10.2 | 6.8 |
| CC(1/2) | 0.999 | 0.948 |
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 |
