6LG8
crystal structure of the first bromodomain of human BRD4 in complex with compound BDF-2138
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-27 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 31.995, 47.159, 78.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.480 - 1.580 |
| R-factor | 0.1743 |
| Rwork | 0.173 |
| R-free | 0.19680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5z5t |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.833 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.480 | 1.635 |
| High resolution limit [Å] | 1.579 | 1.579 |
| Rmerge | 0.072 | 0.498 |
| Number of reflections | 16959 | 1654 |
| <I/σ(I)> | 26.88 | |
| Completeness [%] | 99.6 | |
| Redundancy | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 10-15% glycerol, 4M sodium formate |
