5W2E
HCV NS5B RNA-dependent RNA polymerase in complex with non-nucleoside inhibitor MK-8876
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.092, 106.418, 126.091 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.150 - 2.800 |
| R-factor | 0.184 |
| Rwork | 0.181 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c2p |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.150 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.149 | 0.667 |
| Number of reflections | 29250 | 4208 |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 100.0 | 99.6 |
| Redundancy | 6.6 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 14.0 w/v polyethylene glycol 4000 0.1 M MES pH 5.8 5mM DTT 10.0 w/v glycerol |
