7S47

Integrin beta5(743-774)-linker-PAK4cat(D440N/S474E)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 41 21 2
Unit cell lengths	62.321, 62.321, 178.609
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 2.000
R-factor	0.1957
Rwork	0.194
R-free	0.23690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fif
RMSD bond length	0.015
RMSD bond angle	1.682
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0151)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.010	50.010	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.166	0.056	1.800
Rmeas	0.176	0.060	1.000
Rpim	0.059	0.021	0.737
Number of reflections	24672	2686	2407
<I/σ(I)>	8.8
Completeness [%]	99.8	98.4	100
Redundancy	8.8	8.1	8.9
CC(1/2)		0.997	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM sodium acetate pH 4.0, 0.7 M diammonium phosphate