4BS6
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 | 2008-09-08 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 33.270, 66.740, 97.960 |
| Unit cell angles | 90.00, 90.36, 90.00 |
Refinement procedure
| Resolution | 19.150 - 1.200 |
| R-factor | 0.12359 |
| Rwork | 0.122 |
| R-free | 0.15497 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN HOUSE STRUCTURES |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.379 |
| 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] | 19.100 | 1.200 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.040 | 0.420 |
| Number of reflections | 143497 | |
| <I/σ(I)> | 14.07 | 1.53 |
| Completeness [%] | 82.9 | 36.8 |
| Redundancy | 2.74 | 0.73 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 25% PEG 3350, 0.1 M HEPES PH7.5, 0.2M MGCL2 |
