4P6E
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 | 2008-03-17 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 85.692, 85.692, 151.496 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.070 - 1.800 |
| R-factor | 0.17616 |
| Rwork | 0.176 |
| R-free | 0.19914 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.227 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 28.070 |
| High resolution limit [Å] | 1.800 |
| Number of reflections | 53044 |
| <I/σ(I)> | 7 |
| Completeness [%] | 99.5 |
| Redundancy | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 4.6 | 295 | 21% PEG 8000, 150 mM ammonium sulfate, 100 mM sodium acetate |
