4P6G
Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 67.253, 67.311, 67.778 |
| Unit cell angles | 100.90, 94.86, 117.99 |
Refinement procedure
| Resolution | 65.210 - 1.580 |
| R-factor | 0.19834 |
| Rwork | 0.198 |
| R-free | 0.22232 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.316 |
| Refinement software | REFMAC (5.6.0050) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 65.210 |
| High resolution limit [Å] | 1.580 |
| Number of reflections | 138388 |
| <I/σ(I)> | 2.1 |
| Completeness [%] | 94.5 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.6 | 295 | PEG 8000, ammonium sulfate, sodium acetate |
