6WLX

PAK4 kinase domain in complex with beta-catenin Ser675 substrate 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	2018-11-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 41 21 2
Unit cell lengths	61.605, 61.605, 179.402
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.850 - 2.200
R-factor	0.1984
Rwork	0.197
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fij
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.105	0.057	1.150
Rmeas	0.110	0.060	1.202
Rpim	0.032	0.018	0.347
Total number of observations	208953
Number of reflections	18577	2051	1799
<I/σ(I)>	8
Completeness [%]	99.9	99.7	100
Redundancy	11.2	10.4	11.8
CC(1/2)		0.998	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.1M Tris-HCl, 2M Na acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K, 5mM peptide