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 |