6LOG

Crystal structure of human CCL5-12AAA14 mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-22
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 31 2 1
Unit cell lengths	48.329, 48.329, 60.401
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.880 - 2.550
R-factor	0.2153
Rwork	0.214
R-free	0.24870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eqt
RMSD bond length	0.011
RMSD bond angle	2.228
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.530
High resolution limit [Å]	2.440	2.440
Rmerge	0.068	0.775
Rmeas	0.078	0.861
Rpim	0.036	0.367
Number of reflections	3262	315
<I/σ(I)>	20.2	2.6
Completeness [%]	99.7
Redundancy	5.5
CC(1/2)	0.954	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	283	0.2M Magnesium acetate tetrahydrate pH 7.9, 20% PEG 3350