4KHM
HCV NS5B GT1A with GSK5852
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 | 2011-08-17 |
| Detector | RAYONIX MX225HE |
| Spacegroup name | P 1 |
| Unit cell lengths | 53.030, 61.111, 91.682 |
| Unit cell angles | 89.63, 87.06, 80.91 |
Refinement procedure
| Resolution | 29.190 - 1.700 |
| R-factor | 0.193 |
| Rwork | 0.192 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.949 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.720 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.088 | 0.587 |
| Number of reflections | 130250 | |
| <I/σ(I)> | 6.4 | |
| Completeness [%] | 97.3 | 95.7 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 298 | 0.1M Hepes pH7.5, 14% PEG6000, 0.2M ammonium sulfate, 10% glycerol, pH 5.0, vapor diffusion, hanging drop, temperature 298K |
