4KE5
HCV NS5B GT1B N316Y with GSK5852
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-06 |
| Detector | RAYONIX MX300HS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.064, 106.855, 126.343 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.190 - 2.110 |
| R-factor | 0.223 |
| Rwork | 0.220 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.010 |
| 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] | 30.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.103 | 0.428 |
| Number of reflections | 66142 | |
| <I/σ(I)> | 5.6 | |
| Completeness [%] | 98.7 | 88.4 |
| Redundancy | 7 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 298 | 0.1M citrate pH5.0, 17% PEG4000, 10% glycerol, vapor diffusion, hanging drop, temperature 298K |
