6Y9O

Crystal structure of Whirlin PDZ3_C-ter in complex with CASK internal PDZ binding motif peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-10
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.9786
Spacegroup name	P 31 2 1
Unit cell lengths	50.470, 50.470, 88.410
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.180 - 1.632
Rwork	0.207
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ufx
RMSD bond length	0.006
RMSD bond angle	0.830
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.180	1.691
High resolution limit [Å]	1.632	1.632
Number of reflections	16757	1614
<I/σ(I)>	26.04
Completeness [%]	99.7
Redundancy	19.2
CC(1/2)	0.999	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.2 M LiCl, 25 %w/v PEG 8000