8EYA

Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with a 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	2017-12-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 32 2 1
Unit cell lengths	88.833, 88.833, 197.456
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.416 - 2.099
R-factor	0.2221
Rwork	0.221
R-free	0.26040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sug
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.416	2.170
High resolution limit [Å]	2.010	2.010
Number of reflections	53433	5267
<I/σ(I)>	16.67
Completeness [%]	99.7
Redundancy	5
CC(1/2)	0.990	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281.15	25% w/v PEG 3350, 0.2 M NaCl, 0.1 M Tris Cl (pH 8.5)