6K05
Crystal structure of BRD2(BD1)with ligand BY27 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 | 2019-01-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97849 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.133, 55.735, 67.434 |
| Unit cell angles | 90.00, 94.33, 90.00 |
Refinement procedure
| Resolution | 45.381 - 1.935 |
| R-factor | 0.186 |
| Rwork | 0.185 |
| R-free | 0.21030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yek |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.974 |
| Data reduction software | HKL-3000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.381 | 2.005 |
| High resolution limit [Å] | 1.935 | 1.936 |
| Rmerge | 0.114 | 0.735 |
| Rmeas | 0.123 | 0.797 |
| Rpim | 0.047 | 0.306 |
| Number of reflections | 30866 | 2370 |
| <I/σ(I)> | 19.78 | |
| Completeness [%] | 96.6 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.985 | 0.756 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25-30% PEG MME 5000, 0.2M ammonium sulfate, 0.1M MES pH 6.7 |
