2A4G
Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-04-08 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 224.392, 224.392, 75.334 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.500 |
| Rwork | 0.193 |
| R-free | 0.26500 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.850 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (98.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.031 | |
| Number of reflections | 27752 | |
| <I/σ(I)> | 17.7 | |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 285 | MES, sodium potassium phosphate, sodium chloride, 2-mercaptoethanol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
