6MVO
HCV NS5B 1A Y316 bound to Compound 49
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 |
| Unit cell lengths | 53.225, 61.202, 91.773 |
| Unit cell angles | 89.70, 86.98, 80.92 |
Refinement procedure
| Resolution | 29.280 - 1.950 |
| R-factor | 0.218 |
| Rwork | 0.217 |
| R-free | 0.23520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.098 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (11.0.02) |
| Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.960 |
| High resolution limit [Å] | 1.890 | 4.070 | 1.890 |
| Rmerge | 0.102 | 0.054 | 0.596 |
| Total number of observations | 349545 | ||
| Number of reflections | 88656 | 8986 | 8734 |
| <I/σ(I)> | 5.9 | ||
| Completeness [%] | 97.9 | 99.4 | 96.4 |
| Redundancy | 3.9 | 3.9 | 3.8 |
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 |
