5COR

X-RAY STRUCTURE OF MACROPHAGE INFLAMMATORY PROTEIN-1 ALPHA (CCL3) N-TERMINAL-SWITCH POLYMER

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-11
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.746
Spacegroup name	P 21 21 21
Unit cell lengths	57.073, 112.592, 179.074
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.966 - 2.548
R-factor	0.1823
Rwork	0.180
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x69
RMSD bond length	0.002
RMSD bond angle	0.562
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.548	2.550
Rmerge	0.078	0.414
Number of reflections	38583
<I/σ(I)>	26.4	0.868
Completeness [%]	100.0	99.9
Redundancy	9.1	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.16	0.01 M Cobalt (II) chloride hexahydrate, 0.1 M Sodium acetate trihydrate pH 4.6, 1.0 M 1,6-Hexanediol