4BS5
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 | 2008-04-09 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 74.640, 66.790, 54.320 |
| Unit cell angles | 90.00, 114.06, 90.00 |
Refinement procedure
| Resolution | 35.690 - 1.250 |
| R-factor | 0.19858 |
| Rwork | 0.197 |
| R-free | 0.22694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN HOUSE STRUCTURES |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.492 |
| 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] | 35.700 | 1.350 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.130 | 0.450 |
| Number of reflections | 67233 | |
| <I/σ(I)> | 6.13 | 2.18 |
| Completeness [%] | 99.4 | 97.7 |
| Redundancy | 3.58 | 3.47 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3.5 | 3 M NACL, 0.1M CITRATE PH3.5 |
