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 |