7F5O

Crystal structure of PTPN2 catalytic domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	107
Detector technology	CCD
Collection date	2019-10-01
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	55.094, 68.187, 72.683
Unit cell angles	111.54, 102.66, 92.34

Refinement procedure

Resolution	24.848 - 1.700
Rwork	0.199
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l8k
RMSD bond length	0.011
RMSD bond angle	1.666
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.022	0.238
Number of reflections	100918	10037
<I/σ(I)>	33.7	4.1
Completeness [%]	96.4	95.5
Redundancy	2.5	2.5
CC(1/2)	0.980	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.1 M Bis-Tris Propane (pH-7.5), 0.2 M Sodium Iodide, 20% w/v PEG 3350, 10% v/v Ethylene glycol and 0.9 mM Mitoxantrone additive