6ZZ4

Crystal structure of the PTPN2 C216G mutant

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	2017-11-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	142.890, 55.980, 101.420
Unit cell angles	90.00, 120.74, 90.00

Refinement procedure

Resolution	48.710 - 2.430
R-factor	0.2008
Rwork	0.198
R-free	0.25260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l8k
RMSD bond length	0.008
RMSD bond angle	1.037
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.710	2.520
High resolution limit [Å]	2.430	2.430
Rmerge	0.118	0.640
Rmeas	0.128	0.694
Rpim	0.048	0.263
Number of reflections	25798	2471
<I/σ(I)>	10.97	2.38
Completeness [%]	98.2	94.26
Redundancy	6.9	6.8
CC(1/2)	0.996	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.1 M Tris HCl pH 8.5, 2 M ammonium phosphate