2FQ9
Cathepsin S with nitrile inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-01-25 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 85.239, 85.239, 150.966 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.800 - 1.650 |
| Rwork | 0.198 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.290 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.800 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 65005 | |
| Completeness [%] | 95.8 | 88.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 298 | 22.5-30% PEG 8K, 0.1M sodium citrate (pH 5.0), 0.2M ammonium sulfate, VAPOR DIFFUSION, temperature 298K |
