8OEP

Crystal structure of the PTPN3 PDZ domain bound to the HPV18 E6 oncoprotein C-terminal 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	2018-04-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9786
Spacegroup name	P 65 2 2
Unit cell lengths	82.230, 82.230, 139.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.700 - 1.870
R-factor	0.2008
Rwork	0.198
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.933
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.700	2.175
High resolution limit [Å]	1.870	2.100
Number of reflections	23304	1630
<I/σ(I)>	23.94
Completeness [%]	99.2
Redundancy	12.3
CC(1/2)	0.999	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	20% w/v PEG 3350, 0.2 M NaI at pH 7;