6BQJ
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 16)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 32-ID |
| Synchrotron site | APS |
| Beamline | 32-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-18 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.440, 57.470, 89.830 |
| Unit cell angles | 90.00, 115.00, 90.00 |
Refinement procedure
| Resolution | 24.730 - 1.690 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.20600 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data scaling software | SCALEPACK |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 |
| High resolution limit [Å] | 1.690 | 3.880 |
| Rmerge | 0.082 | 0.047 |
| Number of reflections | 91563 | |
| <I/σ(I)> | 15.6 | 23.3 |
| Completeness [%] | 99.4 | 99.6 |
| Redundancy | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 |
