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)