8EYC

Crystal structure of PTP1B D181A/Q262A/C215A 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	2018-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	44.472, 88.186, 97.722
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.860 - 2.990
R-factor	0.2214
Rwork	0.217
R-free	0.25430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zrt
RMSD bond length	0.004
RMSD bond angle	0.629
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.861	2.890
High resolution limit [Å]	2.790	2.790
Number of reflections	64878	6043
<I/σ(I)>	10.44
Completeness [%]	99.6
Redundancy	6.5
CC(1/2)	0.997	0.377

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281.15	14% PEG 8K, 0.20 M Magnesium Acetate, 0.1 M MES (pH 6.5)