8EXI

Crystal structure of apo PTP1B D181A/Q262A phosphatase domain

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	2018-04-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 31 2 1
Unit cell lengths	88.719, 88.719, 104.649
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.360 - 1.599
R-factor	0.1918
Rwork	0.191
R-free	0.21390
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]	44.360	1.656
High resolution limit [Å]	1.599	1.599
Rmerge	0.046	1.150
Number of reflections	63299	6186
<I/σ(I)>	23.89
Completeness [%]	99.9
Redundancy	9
CC(1/2)	1.000	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281.15	12% PEG 8K, 0.15 M Magnesium Acetate, 0.1 M MES (pH 6.5)