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 |