2WCX
Crystal Structure of Hepatitis C Virus NS5B Polymerase in Complex with Thienopyrrole-Based Finger-Loop Inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 68.407, 94.708, 95.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 95.350 - 2.000 |
| R-factor | 0.16931 |
| Rwork | 0.167 |
| R-free | 0.20920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1csj |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.909 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.710 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.090 | 0.350 |
| Number of reflections | 42683 | |
| <I/σ(I)> | 18 | 5.2 |
| Completeness [%] | 97.2 | 94.9 |
| Redundancy | 6.9 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | pH 6.0 |
