7S48

PAK4cat in complex with Integrin beta5 760-770 peptide

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	PIXEL
Collection date	2017-03-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 41 21 2
Unit cell lengths	61.735, 61.735, 179.987
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 1.900
R-factor	0.1816
Rwork	0.179
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fif
RMSD bond length	0.013
RMSD bond angle	1.629
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	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.074	0.040	1.001
Rmeas	0.078	0.042	1.000
Rpim	0.022	0.012	0.288
Number of reflections	28270	3065	2754
<I/σ(I)>	7.7
Completeness [%]	99.4	98.2	99.7
Redundancy	11.6	11	12.5
CC(1/2)		0.999	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Tris-HCl (pH 8.5) and 0.5 M tri-sodium citrate