9C55

Crystal structure of human PTPN2 in complex with active site inhibitor

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	2022-04-01
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	83.392, 223.052, 36.585
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.700 - 2.360
R-factor	0.2005
Rwork	0.199
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.548
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]	78.110	2.490
High resolution limit [Å]	2.360	2.360
Rmeas	0.111	0.815
Rpim	0.044	0.321
Number of reflections	14667	2106
<I/σ(I)>	12.7	2.4
Completeness [%]	100.0
Redundancy	6.5
CC(1/2)	0.998	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100mM MES/imidazole pH6.5, 7% w/v Peg 8000, 14% v/v ethylene glycol, 30mM sodium l-glutamate, 30mM dl-alanine, 30mM glycine, 30mM dl-lysine HCl, 30mM dl-serine