7ENV
crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2 (BRD2-BD1).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-16 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54056 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.223, 55.893, 67.603 |
| Unit cell angles | 90.00, 94.05, 90.00 |
Refinement procedure
| Resolution | 31.600 - 2.450 |
| R-factor | 0.1911 |
| Rwork | 0.188 |
| R-free | 0.25880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6jke |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.937 |
| 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 | 2.490 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.135 | 0.530 |
| Number of reflections | 15805 | 744 |
| <I/σ(I)> | 10.82 | 1.45 |
| Completeness [%] | 99.1 | |
| Redundancy | 4.4 | |
| CC(1/2) | 0.993 | 0.593 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.8 M Ammonium sulfate, 0.1 M MES pH6.5, 28% PEG MME2000, 5% glycerol |
