1CPJ
CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN
Experimental procedure
| Detector technology | AREA DETECTOR |
| Collection date | 1992-12 |
| Detector | XUONG-HAMLIN MULTIWIRE |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.090, 90.250, 62.100 |
| Unit cell angles | 90.00, 97.29, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.200 |
| R-factor | 0.175 |
| Rwork | 0.175 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.300 |
| Data reduction software | SDMS |
| Phasing software | X-PLOR (3.0) |
| Refinement software | X-PLOR (3.0) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.200 |
| Rmerge | 0.095 |
| Number of reflections | 24886 |
| Completeness [%] | 90.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 4.6 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | cathepsin B | 5.25 (mg/ml) | |
| 2 | 1 | drop | synthetic propeptide | 3.27 (mg/ml) | |
| 3 | 1 | reservoir | ammonium sulfate | 20.5 (%) | |
| 4 | 1 | reservoir | sodium acetate | 0.1 (M) | |
| 5 | 1 | reservoir | PEG4000 | 1 (%) |
