7VSF
crystal structure of BRD2-BD1 in complex with purine derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-28 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54056 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.947, 55.550, 67.281 |
| Unit cell angles | 90.00, 93.52, 90.00 |
Refinement procedure
| Resolution | 23.570 - 2.500 |
| R-factor | 0.2041 |
| Rwork | 0.201 |
| R-free | 0.25530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6jke |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.982 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.18_3855: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.121 | 0.899 |
| Number of reflections | 14540 | 1615 |
| <I/σ(I)> | 6.9 | |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 4.9 | 0.9 |
| CC(1/2) | 0.980 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 300 | PEG MME 5000, 0.1M MES |
