3L0R
Crystal Structure of Salivary Cystatin from the Soft Tick Ornithodoros moubata
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-27 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.954 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 69.805, 69.805, 133.994 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.950 - 2.450 |
R-factor | 0.18937 |
Rwork | 0.188 |
R-free | 0.22312 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lh4 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.256 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.334 | |
Number of reflections | 14369 | |
<I/σ(I)> | 27.3 | 2.4 |
Completeness [%] | 98.8 | 90 |
Redundancy | 5.6 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES pH 7.5, 1.5M lithium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |