7DPN
Crystal structure of BRD2(BD1)with ligand ZB-BD-224 bound
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 | 2019-05-16 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.784, 55.778, 68.098 |
| Unit cell angles | 90.00, 94.25, 90.00 |
Refinement procedure
| Resolution | 45.454 - 1.800 |
| R-factor | 0.189761132575 |
| Rwork | 0.188 |
| R-free | 0.21879 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yek |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.904 |
| Data reduction software | HKL-3000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 1.860 |
| High resolution limit [Å] | 1.790 | 1.800 |
| Rmerge | 0.168 | 0.791 |
| Rmeas | 0.168 | 0.861 |
| Rpim | 0.069 | 0.985 |
| Number of reflections | 39802 | 3928 |
| <I/σ(I)> | 99.6 | |
| Completeness [%] | 99.5 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.941 | 0.691 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 25-30% PEG MME 5000, 0.2M ammonium sulfate, 0.1M MES pH 6.7 |
