7T1E

Structure of monomeric and dimeric human CCL20

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2018-08-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978560
Spacegroup name	P 32 2 1
Unit cell lengths	60.203, 60.203, 231.268
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.600 - 1.459
R-factor	0.1629
Rwork	0.163
R-free	0.17310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m8a
Data reduction software	XDS (BUILT 20180126)
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.090	77.090	1.540
High resolution limit [Å]	1.459	4.610	1.460
Rmerge	0.050	0.039	0.358
Rmeas	0.053	0.041	0.413
Rpim	0.017	0.013	0.199
Total number of observations		29342	43635
Number of reflections	84899	3032	11256
<I/σ(I)>	23.9	53.4	2.8
Completeness [%]	98.7	99.9	91.3
Redundancy	9	9.7	3.9
CC(1/2)	0.999	0.999	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	292.2	14% (w/v) PEG 3,350 and 0.5 M succinct acid