8FK9

Crystal Structure of the Tick Evasin EVA-ACA1001 Complexed to Human Chemokine CCL16

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	2021-06-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953
Spacegroup name	C 2 2 2
Unit cell lengths	117.062, 122.801, 60.501
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.370 - 2.700
R-factor	0.2534
Rwork	0.253
R-free	0.26610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.724
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]	49.240	2.830
High resolution limit [Å]	2.700	2.700
Number of reflections	23069	1609
<I/σ(I)>	7
Completeness [%]	99.9
Redundancy	13
CC(1/2)	0.987	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M HEPES 7 pH, 0.5 %v/v Jeff ED-2001, 1.1 M Na2 Malon