6LIH
BRD4 BD1 bound with compound 10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-06-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.071, 47.892, 77.979 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.599 - 1.620 |
| R-factor | 0.190558037104 |
| Rwork | 0.188 |
| R-free | 0.21172 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xhy |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.841 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11_2567) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.810 | 1.710 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Number of reflections | 29646 | 1559 |
| <I/σ(I)> | 16.3 | |
| Completeness [%] | 93.2 | |
| Redundancy | 9.5 | |
| CC(1/2) | 0.997 | 0.841 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7 | 289 | protein concentration 10 mg/ML, 2.8-3.8M sodium formate, 10% glycerol |
