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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 | 1992-09 |
| Detector | XUONG-HAMLIN MULTIWIRE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.110, 90.150, 62.310 |
| Unit cell angles | 90.00, 97.24, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.900 |
| R-factor | 0.17 |
| Rwork | 0.170 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.590 |
| Data reduction software | SDMS |
| Phasing software | X-PLOR (3.0) |
| Refinement software | X-PLOR (3.0) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 14.300 |
| High resolution limit [Å] | 1.900 |
| Rmerge | 0.070 |
| Number of reflections | 39749 |
| Completeness [%] | 97.7 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | phosphate | 50 (mM) | |
| 2 | 1 | drop | Brij-35 | 0.001 (%) | |
| 3 | 1 | drop | 0.05 (%) | ||
| 4 | 1 | drop | protein | 7.7 (mg/ml) | |
| 5 | 1 | reservoir | PEG8000 | 10 (%) | |
| 6 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 7 | 1 | reservoir | sodium citrate | 0.1 (M) |
