4YV8
Crystal structure of cathepsin K bound to the covalent inhibitor lichostatinal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-02-13 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 56.717, 56.717, 130.365 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.330 - 2.000 |
| R-factor | 0.175 |
| Rwork | 0.173 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c9e |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.856 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.332 | |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.074 | 0.280 |
| Number of reflections | 15131 | |
| <I/σ(I)> | 18.9 | 7.7 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 8.9 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294.15 | 24% PEG 8000, 0.2M ammonium sulfate |
