4MMX

Integrin AlphaVBeta3 ectodomain bound to the tenth domain of Fibronectin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97921
Spacegroup name	P 32 2 1
Unit cell lengths	129.859, 129.859, 305.831
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.510 - 3.320
R-factor	0.2227
Rwork	0.220
R-free	0.26940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.661
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.490	3.410
High resolution limit [Å]	3.320	3.320
Rmerge	0.109
Number of reflections	39593	3003
<I/σ(I)>	13.9	3.3
Completeness [%]	88.0	88
Redundancy	6.2	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	277.15	12% PEG3350, 0.8 M sodium chloride, 0.1 M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K