8EXM

Crystal structure of PTP1B D181A/Q262A phosphatase domain with a JAK3 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	2017-11-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 43 21 2
Unit cell lengths	88.590, 88.590, 132.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.619 - 2.349
R-factor	0.2096
Rwork	0.206
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pty
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]	39.620	2.430
High resolution limit [Å]	2.349	2.349
Number of reflections	22507	2118
<I/σ(I)>	27.61
Completeness [%]	99.5
Redundancy	11.4
CC(1/2)	0.100	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		281.15	12% Peg 4K, 0.15 M Calcium acetate, 0.05 M MES (pH 6.5)