5D65

X-RAY STRUCTURE OF MACROPHAGE INFLAMMATORY PROTEIN-1 ALPHA (CCL3) WITH HEPARIN COMPLEX

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 62 2 2
Unit cell lengths	181.061, 181.061, 77.378
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.220 - 3.100
R-factor	0.215
Rwork	0.214
R-free	0.24300
Structure solution method	SAD
Starting model (for MR)	2x69
RMSD bond length	0.003
RMSD bond angle	1.540
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.220	3.130
High resolution limit [Å]	3.095	3.100
Rmerge	0.053	0.678
Number of reflections	14085
<I/σ(I)>	48.9	3
Completeness [%]	99.8	100
Redundancy	12.9	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	0.1M Tris, pH 7.0; 1.8M (NH4)2SO4;