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 |