8W5Z
Crystal structure of tick tyrosylprotein sulfotransferase reveals the activation mechanism of tick anticoagulant protein madanin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45XU |
Synchrotron site | SPring-8 |
Beamline | BL45XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 147.130, 151.190, 93.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.680 - 1.550 |
R-factor | 0.1734 |
Rwork | 0.173 |
R-free | 0.19540 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.436 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 105.500 | 1.650 |
High resolution limit [Å] | 1.550 | 1.550 |
Number of reflections | 150031 | 15003 |
<I/σ(I)> | 6.43 | |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 8.8 | 8.6 |
CC(1/2) | 0.993 | 0.529 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1 M Tris HCl [pH 8.0, 0.1 M magnesium chloride, 15% v/v PEG 400, 16% w/v PEG 8000 |