9UZT

Crystal structure of human PTPN2 with inhibitor K-38

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2024-11-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 32 2 1
Unit cell lengths	94.950, 94.950, 100.514
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.880 - 2.170
R-factor	0.184
Rwork	0.182
R-free	0.21260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.198
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.470	2.280
High resolution limit [Å]	2.170	2.170
Rmerge	0.179	1.489
Rmeas	0.183	1.528
Rpim	0.041	0.342
Total number of observations	560477	80482
Number of reflections	28326	4065
<I/σ(I)>	13.3	2.5
Completeness [%]	100.0
Redundancy	19.8	19.8
CC(1/2)	0.999	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289.15	28% v/v 2-Propanol 0.1 M BIS-TRIS pH 6.5 3% v/v Polyethylene glycol 200