1U9X
Crystal Structure of the Cysteine Protease Human Cathepsin K in Complex with the Covalent Inhibitor NVP-ABJ688
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 294 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-01-19 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 63.500, 63.500, 116.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.171 |
| Rwork | 0.171 |
| R-free | 0.21700 |
| Structure solution method | RIGID BODY REFINEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.617 |
| Data reduction software | AUTOMAR |
| Data scaling software | XDS |
| Phasing software | X-PLOR (98.1) |
| Refinement software | X-PLOR (98) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.400 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.090 | 0.406 |
| Number of reflections | 14083 | |
| <I/σ(I)> | 25.2 | 5.6 |
| Completeness [%] | 96.5 | 94.6 |
| Redundancy | 7.6 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | sodium citrate, hepes, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
