3KN2
HCV NS3 Protease Domain with ketoamide inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-02-04 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | H 3 2 |
Unit cell lengths | 224.486, 224.486, 75.465 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.180 - 2.300 |
Rwork | 0.200 |
R-free | 0.26400 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.928 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (98.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.300 |
Number of reflections | 31312 |
Completeness [%] | 94.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 1.25-1.50 M NaCl, 0.1 M MES, 0.1 M Na/K PO4, 5 mM b-mercaptoethanol, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |