6STK

Crystal structure of the CC-chemokine 5 (CCL5) E66S mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	23.916, 56.324, 94.001
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.310 - 1.520
R-factor	0.1816
Rwork	0.180
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5coy
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.310	1.550
High resolution limit [Å]	1.520	1.520
Rmerge	0.069	0.143
Number of reflections	20411	972
<I/σ(I)>	13.8
Completeness [%]	100.0
Redundancy	7.4
CC(1/2)	0.999	0.679

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	15% glycerol, 25.5% PEG 4000, 85mM acetate buffer pH 4.6, 0.17 M ammonium acetate