4BQV
MOUSE CATHEPSIN S WITH COVALENT LIGAND
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-26 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 63.884, 66.984, 103.330 |
| Unit cell angles | 90.04, 96.68, 89.90 |
Refinement procedure
| Resolution | 43.490 - 1.700 |
| R-factor | 0.20378 |
| Rwork | 0.202 |
| R-free | 0.23997 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN HOUSE STRUCTURES |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.476 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.050 | 0.180 |
| Number of reflections | 167038 | |
| <I/σ(I)> | 9.57 | 3.71 |
| Completeness [%] | 89.2 | 55 |
| Redundancy | 1.72 | 0.93 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 25% PEG 3350, 0.1 M BISTRIS PH5.5, 0.2M LI2SO4 |
