1A1Q
HEPATITIS C VIRUS NS3 PROTEINASE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-11 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 133.000, 133.000, 223.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.400 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.32000 |
| Structure solution method | HEAVY ATOMS: ISOMORPHOUS + ANOMALOUS SIGNALS |
| RMSD bond length | 0.020 |
| RMSD bond angle | 28.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.079 * | |
| Total number of observations | 96285 * | |
| Number of reflections | 30000 | |
| <I/σ(I)> | 10 | 4 |
| Completeness [%] | 98.0 | 98 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 4 * | VAPOR DIFFUSION. PROTEIN MIXED WITH WELL SOLUTION OF: 3.5M NACL, 150MM TRIS-HCL (PH 6.0), 5% PEG400., pH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 25 (mM) | |
| 3 | 1 | drop | dithiothreitol | 5 (mM) | |
| 4 | 1 | drop | 1.9 (M) | ||
| 5 | 1 | drop | PEG400 | 2.5 (%) | |
| 6 | 1 | drop | Tris-HCl | 75 (mM) | |
| 7 | 1 | reservoir | PEG400 | 5 (%) | |
| 8 | 1 | reservoir | 3.5 (M) | ||
| 9 | 1 | reservoir | Tris-HCl | 150 (mM) |
