4WH8
Crystal Structure of HCV NS3/4A protease in complex with an Asunaprevir P1-P3 macrocyclic analog.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-01 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.412, 54.975, 59.859 |
| Unit cell angles | 90.00, 90.09, 90.00 |
Refinement procedure
| Resolution | 24.871 - 2.703 |
| R-factor | 0.1744 |
| Rwork | 0.171 |
| R-free | 0.23870 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 40.000 |
| High resolution limit [Å] | 2.700 |
| Number of reflections | 6134 |
| <I/σ(I)> | 10.5 |
| Completeness [%] | 90.0 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 20 to 26% PEG-3350, 0.1 M sodium MES buffer at pH 6.5, and 4% ammonium sulfate |
