2A4R
HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 95 |
Detector technology | IMAGE PLATE |
Collection date | 1999-04-08 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 2 |
Unit cell lengths | 223.603, 223.603, 75.354 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 8.000 - 2.400 |
Rwork | 0.201 |
R-free | 0.27100 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.810 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (98.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.047 | 0.489 |
Number of reflections | 28197 | |
<I/σ(I)> | 23.3 | 24 |
Completeness [%] | 99.2 | 98.8 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 273 | MES, sodium potassium phosphate, sodium chloride, 2-mercaptoethanol, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 273K |