6BQK
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 18)
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 | 2007-08-16 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.650, 68.060, 61.460 |
Unit cell angles | 90.00, 109.58, 90.00 |
Refinement procedure
Resolution | 23.200 - 1.970 |
R-factor | 0.254 |
Rwork | 0.254 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.120 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.127 | 0.344 |
Number of reflections | 26030 | |
<I/σ(I)> | 9 | 3 |
Completeness [%] | 96.6 | 96.6 |
Redundancy | 2.9 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | NULL |