3FSO

Crystal structure of the Calx-beta domain of integrin beta4, calcium soak

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-08-05
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	50.310, 51.650, 87.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.858 - 1.405
R-factor	0.1835
Rwork	0.182
R-free	0.21150
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3fq4
RMSD bond length	0.007
RMSD bond angle	0.909
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000	1.500
High resolution limit [Å]	1.400	1.400
Number of reflections	44715
<I/σ(I)>	20.5	9.9
Completeness [%]	98.1	91.1
Redundancy	12.7	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	298	50mM Tris-HCl, 26% PEG 1500; CRYSTAL WAS SOAKED IN 50mM Tris-HCl, 25% PEG 1500, 10mM CaCl2 PRIOR TO DATA COLLECTION, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K