9C54

Crystal structure of human PTPN2 catalytic domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	83.742, 223.058, 36.534
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.370 - 2.050
R-factor	0.1887
Rwork	0.186
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.584
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.600	2.130
High resolution limit [Å]	2.050	2.050
Rmeas	0.072	0.632
Rpim	0.038	0.329
Number of reflections	22095	3164
<I/σ(I)>	15.1	2.6
Completeness [%]	100.0	100
Redundancy	6.7	6.8
CC(1/2)	0.999	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	7% w/v PEG 8000, 14% v/v ethylene glycol, 25mM sodium l-glutamate, 25mM dl-alanine, 25mM glycine, 25mM dl-lysine HCl, 25mM dl-serine, 100mM MES/imidazole pH6.5