7S58

Crystal Structure of the tick evasin EVA-P974 complexed to human chemokine CCL7

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	2021-03-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	58.025, 64.415, 181.432
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.770 - 1.820
R-factor	0.2246
Rwork	0.224
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7s4n
RMSD bond length	0.007
RMSD bond angle	1.004
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]	48.880	1.850
High resolution limit [Å]	1.820	1.820
Number of reflections	61992	3397
<I/σ(I)>	18.5
Completeness [%]	99.4
Redundancy	13.4
CC(1/2)	0.999	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 M BIS-TRIS 6.5 pH (Buffer) 25 %w/v PEG 3350 (Precipitant)