1U9V
Crystal Structure of the Cysteine Protease Human Cathepsin K in Complex with the Covalent Inhibitor NVP-ABE854
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 294 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-10-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 63.200, 63.200, 113.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.17 |
| Rwork | 0.170 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mem |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.562 |
| Data reduction software | AUTOMAR |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (98) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.200 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.061 | 0.182 |
| Number of reflections | 12003 | |
| <I/σ(I)> | 48.76 | 16.6 |
| Completeness [%] | 99.0 | 92.3 |
| Redundancy | 9.9 | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 293 | PEG 4000, Tris, magnesium chloride, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
