8F88

Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with monophosphorylated 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	2018-04-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 1 21 1
Unit cell lengths	88.229, 176.231, 43.797
Unit cell angles	90.00, 90.29, 90.00

Refinement procedure

Resolution	42.790 - 3.100
R-factor	0.2642
Rwork	0.262
R-free	0.29130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sug
RMSD bond length	0.009
RMSD bond angle	1.116
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]	42.794	3.200
High resolution limit [Å]	3.090	3.090
Number of reflections	24126	2290
<I/σ(I)>	12.86
Completeness [%]	99.0
Redundancy	3.5
CC(1/2)	0.998	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		281	25% w/v PEG 3350, 0.2 M NaCl, 0.1 M Tris Cl (pH 8.5)