8EXK

Crystal structure of PTP1B D181A/Q262A phosphatase domain with JAK2 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	2017-09-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 43 21 2
Unit cell lengths	88.493, 88.493, 130.411
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.148 - 2.096
R-factor	0.2188
Rwork	0.216
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pty
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]	45.148	2.170
High resolution limit [Å]	2.090	2.090
Number of reflections	31017	1743
<I/σ(I)>	21.46
Completeness [%]	99.5
Redundancy	7.4
CC(1/2)	0.999	0.110

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		281.15	14% PEG 8K, 0.10 M Mg Acetate, 0.1 M MES (pH 6.5)