7SO0

Crystal Structure of the Engineered Tick Evasin EVA-P974(F31A) Complexed to Human Chemokine CCL2

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	2021-10-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953731894493
Spacegroup name	P 32
Unit cell lengths	36.785, 36.785, 108.682
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.860 - 1.740
R-factor	0.1853
Rwork	0.184
R-free	0.20170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7s58
RMSD bond length	0.007
RMSD bond angle	1.119
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]	31.860	1.770
High resolution limit [Å]	1.740	1.740
Number of reflections	33772	913
<I/σ(I)>	31.07
Completeness [%]	99.7
Redundancy	10.4
CC(1/2)	0.999	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	293	0.1 M Na3 Cit 3.5 pH (Buffer) 25 %w/v PEG 3350 (Precipitant)