6Y9P

Crystal structure of Whirlin PDZ3_C-ter in complex with Harmonin a1 C-terminal 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	2017-12-11
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	76.880, 81.030, 111.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.820 - 3.169
Rwork	0.246
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ufx
RMSD bond length	0.011
RMSD bond angle	1.472
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.820	3.282
High resolution limit [Å]	3.169	3.169
Number of reflections	10622	1085
<I/σ(I)>	6.2
Completeness [%]	86.3
Redundancy	3.3
CC(1/2)	0.987	0.373

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	0.1 M Tris pH 8.5, 0.2M CaCl, 25% w/v PEG 4000