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 |