6LG5
Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-1038
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 | 31.964, 47.246, 78.897 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.280 - 1.830 |
| R-factor | 0.1776 |
| Rwork | 0.176 |
| R-free | 0.20170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5z5t |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.829 |
| 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] | 30.280 | 1.898 |
| High resolution limit [Å] | 1.830 | 1.832 |
| Rmerge | 0.102 | 0.174 |
| Number of reflections | 11015 | 1089 |
| <I/σ(I)> | 18.3 | |
| Completeness [%] | 99.2 | |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 10-15% glycerol, 4M sodium formate |
