2H7J
Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 85.222, 85.222, 150.754 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.600 - 1.500 |
| R-factor | 0.16235 |
| Rwork | 0.161 |
| R-free | 0.17969 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f1g |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.331 |
| Data scaling software | CCP4 ((SCALA)) |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.600 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.073 | 0.642 |
| Number of reflections | 92453 | |
| <I/σ(I)> | 27.4 | 2.7 |
| Completeness [%] | 99.3 | 95.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 30% Peg-6000, 0.1M Lithium Chloride in Citrate Buffer pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
