8EXN

Crystal structure of PTP1B D181A/Q262A phosphatase domain with TYK2 activation loop phosphopeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 43 21 2
Unit cell lengths	88.316, 88.316, 131.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.236 - 2.151
R-factor	0.2194
Rwork	0.218
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sug
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.240	2.230
High resolution limit [Å]	2.150	2.150
Number of reflections	28847	2809
<I/σ(I)>	11.38
Completeness [%]	99.5
Redundancy	7.3
CC(1/2)	0.990	0.270

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281.15	0.2 M Calcium Acetate, 12.5% PEG 4K, 0.05 M MES (pH 6.5)