1HAV
HEPATITIS A VIRUS 3C PROTEINASE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 295 |
| Detector technology | AREA DETECTOR |
| Collection date | 1994-10-30 |
| Detector | XUONG-HAMLIN MULTIWIRE |
| Spacegroup name | P 1 |
| Unit cell lengths | 53.600, 53.550, 53.200 |
| Unit cell angles | 99.08, 129.00, 103.31 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.211 |
| Rwork | 0.211 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | INACTIVE DOUBLE MUTANT OF ALLAIRE ET AL. (1994) SEE REFERENCE 2. |
| RMSD bond length | 0.011 |
| RMSD bond angle | 27.700 * |
| Data reduction software | SDMS |
| Data scaling software | BIOMOL |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.150 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.067 | 0.271 |
| Total number of observations | 64410 * | |
| Number of reflections | 25299 | 3841 * |
| <I/σ(I)> | 9.1 | 1.4 |
| Completeness [%] | 87.0 | 67.2 * |
| Redundancy | 2.4 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 | used to seeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | mPEG2000 | 20 (%) | |
| 3 | 1 | reservoir | 1.0 (M) | ||
| 4 | 1 | reservoir | beta-mercaptoethanol | 3 (mM) | |
| 5 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.5 |
