3H6S
Structure of clitocypin - cathepsin V complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-20 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 97.180, 177.760, 96.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.220 |
| Rwork | 0.182 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.947 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.260 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.037 | 0.171 |
| Number of reflections | 81809 | |
| <I/σ(I)> | 43.89 | |
| Completeness [%] | 98.8 | 76.8 |
| Redundancy | 7.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.4 M Li2SO4, 12% PEG800, 20% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
