6MVP
HCV NS5B 1b N316 bound to Compound 18
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-30 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.399, 107.311, 126.241 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.690 - 2.000 |
| R-factor | 0.2197 |
| Rwork | 0.218 |
| R-free | 0.24240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.088 | 0.042 | 0.489 |
| Total number of observations | 576039 | ||
| Number of reflections | 79393 | 8394 | 7917 |
| <I/σ(I)> | 7.3 | ||
| Completeness [%] | 99.1 | 99.9 | 100 |
| Redundancy | 7.3 | 7.1 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1M Na Citrate pH5.0, 10% glycerol, 15% PEG3350 |
