7S5A

Crystal structure of human chemokine CCL8

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	2020-03-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	61.807, 64.718, 81.125
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.560 - 1.370
R-factor	0.1704
Rwork	0.169
R-free	0.18930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1esr
RMSD bond length	0.015
RMSD bond angle	1.391
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.560	1.390
High resolution limit [Å]	1.370	1.370
Number of reflections	34554	1631
<I/σ(I)>	20.6
Completeness [%]	99.8
Redundancy	3.3
CC(1/2)	1.000	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Ammonium phosphate dibasic 20% w/v Polyethylene glycol 3,350 pH 8