4WK2

Metal Ion and Ligand Binding of Integrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	60.980, 118.390, 170.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.570 - 2.500
R-factor	0.2123
Rwork	0.210
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.786
Data scaling software	XDS
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	42.570
High resolution limit [Å]	2.500
Number of reflections	42741
<I/σ(I)>	7.46
Completeness [%]	98.2
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	0.1 M HEPES 7.2, 16% PEG 6000