6XA6

Crystal Structure of Human Scribble PDZ3:Vangl2 Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	80
Detector technology	CCD
Collection date	2016-07-09
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9357
Spacegroup name	P 41 21 2
Unit cell lengths	54.706, 54.706, 129.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.080 - 1.950
R-factor	0.2185
Rwork	0.217
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wyu
RMSD bond length	0.009
RMSD bond angle	1.155
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.080	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.060	0.763
Number of reflections	15107	1475
<I/σ(I)>	38.36	5.54
Completeness [%]	99.9
Redundancy	27.6
CC(1/2)	1.000	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M HEPES pH 7.8 and 66% (v/v) MPD