6C6D

20mer crystal structure of CC chemokine 5 (CCL5)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	119.866, 322.783, 157.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.114 - 5.500
R-factor	0.2502
Rwork	0.248
R-free	0.28580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l2u
RMSD bond length	0.003
RMSD bond angle	0.718
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	5.590
High resolution limit [Å]	5.500	5.500
Rmerge	0.200	0.600
Rmeas	0.213	0.640
Rpim	0.066	0.220
Number of reflections	10103	393
<I/σ(I)>	10
Completeness [%]	97.6	77.8
Redundancy	10.2	7.3
CC(1/2)	1.000	0.972

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		303.15	10% (v/v) 2-propanol, 0.1M HEPES pH 7.5, 0.2M NaCl