6ZTK
Crystal structure of Mialostatin, a gut 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 | 2016-03-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91841 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 81.106, 81.106, 162.330 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.900 - 1.550 |
R-factor | 0.1722 |
Rwork | 0.171 |
R-free | 0.20140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l0r |
RMSD bond length | 0.015 |
RMSD bond angle | 1.907 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.900 | 1.650 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.084 | 1.203 |
Rmeas | 0.087 | 1.232 |
Rpim | 0.019 | 0.263 |
Number of reflections | 46381 | 4528 |
<I/σ(I)> | 21.95 | 2 |
Completeness [%] | 99.9 | 99.25 |
Redundancy | 21.22 | 21.55 |
CC(1/2) | 1.000 | 0.764 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 291.15 | 1M ammonium sulphate 0.1M sodium citrate pH 4.0 |