9VRS

Crystal structure of human PTPN2 with inhibitor WS19

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	2024-06-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979460
Spacegroup name	P 1 21 1
Unit cell lengths	60.000, 78.810, 80.880
Unit cell angles	90.00, 111.73, 90.00

Refinement procedure

Resolution	27.870 - 2.000
R-factor	0.1848
Rwork	0.184
R-free	0.21680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.915
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.870	1.820
High resolution limit [Å]	1.770	1.770
Rmerge	0.099	1.133
Rmeas	0.108	1.224
Rpim	0.041	0.460
Total number of observations	449329	33614
Number of reflections	67236	4872
<I/σ(I)>	11.8	1.6
Completeness [%]	98.7
Redundancy	6.7	6.9
CC(1/2)	0.998	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289.15	0.1M Sodium cacodylate pH 6.5 40% v/v MPD 5% w/v PEG 8000