1U9W
Crystal Structure of the Cysteine Protease Human Cathepsin K in Complex with the Covalent Inhibitor NVP-ABI491
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 294 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-01-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 63.600, 63.600, 116.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.169 |
| Rwork | 0.169 |
| R-free | 0.22600 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.596 |
| 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 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.310 |
| Rmerge | 0.113 | 0.399 |
| Number of reflections | 11107 | |
| <I/σ(I)> | 26.5 | 6.6 |
| Completeness [%] | 99.8 | 99.1 |
| Redundancy | 11.3 | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEG 4000, Tris, Lithium sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
