6JKE
Discovery and the crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-08-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9724 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.368, 55.750, 67.850 |
| Unit cell angles | 90.00, 94.16, 90.00 |
Refinement procedure
| Resolution | 67.670 - 1.500 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4uyf |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.670 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.061 | 0.512 |
| Number of reflections | 66509 | 3209 |
| <I/σ(I)> | 12.4 | 1.9 |
| Completeness [%] | 97.5 | 95.8 |
| Redundancy | 2.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.8M Ammonium sulphate, 100mM MES pH 6.5, 5mM DTT, PEG 10%, 5% Glycerol |
