4BPV
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 | 2009-08-12 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.855, 128.917, 97.132 |
| Unit cell angles | 90.00, 97.44, 90.00 |
Refinement procedure
| Resolution | 45.110 - 2.000 |
| R-factor | 0.2144 |
| Rwork | 0.212 |
| R-free | 0.25537 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN HOUSE STRUCTURES |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.484 |
| 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] | 45.100 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.080 | 0.520 |
| Number of reflections | 128672 | |
| <I/σ(I)> | 10.33 | 1.84 |
| Completeness [%] | 99.6 | 97.3 |
| Redundancy | 3.78 | 3.52 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 25% PEG 3350, 0.1 M HEPES PH7.5, 0.2M NH4AC |
