9HM2

A swapped dimeric form of ZO1/TJP1 PDZ2 in complex with the C-terminal peptide from protein E of SARS-CoV-2

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	2024-02-16
Detector	PSI PILATUS 6M
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	30.127, 76.157, 76.922
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.120 - 1.720
R-factor	0.2067
Rwork	0.203
R-free	0.27270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.820
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.120	1.918
High resolution limit [Å]	1.720	1.721
Number of reflections	25335	684
<I/σ(I)>	0.846
Completeness [%]	69.9
Redundancy	13.2
CC(1/2)	0.998	0.617

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	20 %w/v PEG 3350 0.2 M NH4I