8BUW

Crystal structure of Trichoplax Scribble PDZ1 domain in complex with Trichoplax Vangl peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 1 21 1
Unit cell lengths	30.547, 30.298, 89.460
Unit cell angles	90.00, 90.92, 90.00

Refinement procedure

Resolution	29.820 - 2.850
R-factor	0.2292
Rwork	0.227
R-free	0.26260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vwc
RMSD bond length	0.003
RMSD bond angle	0.614
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.300	2.950
High resolution limit [Å]	2.800	2.800
Number of reflections	4011	587
<I/σ(I)>	4.3
Completeness [%]	96.4
Redundancy	2.7
CC(1/2)	0.954	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M sodium acetate trihydrate, 0.1 M Tris pH 8.5, 30% PEG 4000, 30% (v/v) ethylene glycol