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 |