6T36

Crystal structure of the PTPN3 PDZ domain bound to the HBV core protein 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	PSI PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 32 2 1
Unit cell lengths	75.578, 75.578, 46.594
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.350 - 1.860
R-factor	0.1975
Rwork	0.195
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hks
RMSD bond length	0.007
RMSD bond angle	0.814
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.590	1.970
High resolution limit [Å]	1.860	1.860
Rmeas		0.575
Number of reflections	13198	2065
<I/σ(I)>	7.67
Completeness [%]	99.4	96.98
Redundancy	5.1
CC(1/2)	0.999	0.977

Crystallization Conditions

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