4WTW

Crystal structure of the third FnIII domain of integrin beta4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-11-22
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	I 21 21 21
Unit cell lengths	66.760, 68.370, 88.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.380 - 1.606
R-factor	0.1522
Rwork	0.151
R-free	0.18040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qg3
RMSD bond length	0.009
RMSD bond angle	1.230
Data reduction software	XDS (December 29, 2011)
Data scaling software	XSCALE (July 4, 2012)
Phasing software	PHASER
Refinement software	PHENIX (1779)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.190		1.690
High resolution limit [Å]	1.600	5.080	1.600
Rmerge	0.037	0.017	0.294
Rmeas	0.039	0.018	0.313
Total number of observations	239393
Number of reflections	26721	925	3672
<I/σ(I)>	41.73	100.73	7.68
Completeness [%]	98.6	98.8	91.2
Redundancy	9		8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1 M Tris-HCl, 12.5% glycerol, 36% PEG 600, 0.5 M (NH4)2SO4