7VRK
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 | 2020-09-08 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54056 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.492, 55.303, 67.499 |
| Unit cell angles | 90.00, 94.06, 90.00 |
Refinement procedure
| Resolution | 24.850 - 2.480 |
| R-factor | 0.1885 |
| Rwork | 0.186 |
| R-free | 0.23640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6jke |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.944 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.850 | 2.540 |
| High resolution limit [Å] | 2.480 | 2.500 |
| Rmerge | 0.099 | 0.232 |
| Number of reflections | 14382 | 564 |
| <I/σ(I)> | 19.29 | |
| Completeness [%] | 96.1 | 74.4 |
| Redundancy | 4.1 | 3.3 |
| CC(1/2) | 1.000 | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 300 | PEG MME 5000, 0.1M MES |
