7VRZ
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 | 2020-11-26 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54056 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.665, 55.822, 67.765 |
| Unit cell angles | 90.00, 94.07, 90.00 |
Refinement procedure
| Resolution | 31.480 - 2.050 |
| R-factor | 0.1765 |
| Rwork | 0.175 |
| R-free | 0.21220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6jke |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.796 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.18_3855: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.480 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.091 | 0.270 |
| Number of reflections | 26960 | 1208 |
| <I/σ(I)> | 20.69 | |
| Completeness [%] | 99.0 | 90 |
| Redundancy | 3.8 | 2 |
| CC(1/2) | 1.000 | 0.960 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 300 | PEG MME 5000, 0.1M MES |
