1CVZ
CRYSTAL STRUCTURE ANALYSIS OF PAPAIN WITH CLIK148(CATHEPSIN L SPECIFIC INHIBITOR)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-01-01 |
| Detector | MAC Science DIP-2030 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.890, 49.910, 95.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.700 |
| R-factor | 0.177 * |
| Rwork | 0.177 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.072 | 0.152 |
| Total number of observations | 73437 * | |
| Number of reflections | 22427 | |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 95.9 | 95.6 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.9 | 277 | sodium chloride, methanol, pH 8.9, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 30 (mg/ml) | |
| 2 | 1 | drop | DMSO | 20 (%) | |
| 3 | 1 | drop | cysteine | 1 (mg/ml) | |
| 4 | 1 | reservoir | aminomethanol | 0.1 (M) | |
| 5 | 1 | reservoir | 0.05 (M) | ||
| 6 | 1 | reservoir | methanol | 30 (%) |
