4BSQ
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 | 2007-08-13 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 74.340, 66.790, 53.730 |
| Unit cell angles | 90.00, 113.10, 90.00 |
Refinement procedure
| Resolution | 18.660 - 1.960 |
| R-factor | 0.17616 |
| Rwork | 0.174 |
| R-free | 0.21233 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN HOUSE STRUCTURES |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.296 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.450 | 2.080 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.080 | 0.440 |
| Number of reflections | 16810 | |
| <I/σ(I)> | 14.83 | 4.28 |
| Completeness [%] | 96.1 | 88 |
| Redundancy | 3.79 | 3.61 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 2M AM2SO4, 0.1M BISTRIS PH 5.5 |
