5O46
Crystal structure of Iristatin, a secreted salivary cystatin from the hard tick Ixodes ricinus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.033, 76.929, 92.122 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.050 - 1.760 |
R-factor | 0.1941 |
Rwork | 0.191 |
R-free | 0.25572 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l0r |
RMSD bond length | 0.016 |
RMSD bond angle | 1.722 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.050 | 1.870 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.038 | 0.710 |
Rpim | 0.044 | 0.830 |
Number of reflections | 27677 | 4357 |
<I/σ(I)> | 19.32 | 1.56 |
Completeness [%] | 97.8 | 96.8 |
Redundancy | 3.73 | 3.69 |
CC(1/2) | 1.000 | 0.760 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288.15 | 0.1 M Bis-Tris buffer, pH 5.5 1 M ammonium sulphate 1% (w/v) PEG 3350 mother liquor: protein ratio 1.5:1 |