6Y9Q

Crystal structure of Whirlin PDZ3_C-ter in complex with Taperin 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	2019-01-31
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.9786
Spacegroup name	P 31 2 1
Unit cell lengths	50.450, 50.450, 89.140
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.710 - 1.315
Rwork	0.204
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ufx
RMSD bond length	0.006
RMSD bond angle	1.051
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.710	1.362
High resolution limit [Å]	1.315	1.315
Number of reflections	31851	3089
<I/σ(I)>	33.87
Completeness [%]	99.6
Redundancy	19.5
CC(1/2)	1.000	0.975

Crystallization Conditions

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