4WJK

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	2013-11-27
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	52.130, 116.750, 159.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.100 - 1.850
R-factor	0.1922
Rwork	0.191
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.063
Data scaling software	XDS
Refinement software	PHENIX ((phenix.refine: dev_1760))

Data quality characteristics

	Overall
Low resolution limit [Å]	47.103
High resolution limit [Å]	1.850
Number of reflections	82697
<I/σ(I)>	6.55
Completeness [%]	98.4
Redundancy	3.5

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