7S4N
Crystal structure of the tick evasin EVA-P974 complexed to human chemokine CCL17
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.431, 37.716, 69.186 |
Unit cell angles | 90.00, 112.66, 90.00 |
Refinement procedure
Resolution | 34.030 - 1.650 |
R-factor | 0.2094 |
Rwork | 0.208 |
R-free | 0.23730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fpu |
RMSD bond length | 0.005 |
RMSD bond angle | 0.861 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.720 | 37.720 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 32313 | 1514 |
<I/σ(I)> | 14 | |
Completeness [%] | 99.8 | |
Redundancy | 6.7 | |
CC(1/2) | 0.999 | 0.528 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 291 | 0.1 M Na3 Cit 3.5 pH (Buffer) 3 M NaCl (Precipitant) |