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 |