7L0H

Vanadate-bound PTP1B T177G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-26
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97946
Spacegroup name	P 31 2 1
Unit cell lengths	88.471, 88.471, 104.979
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.300 - 2.100
R-factor	0.1794
Rwork	0.178
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xee
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.148	0.086	1.857
Rmeas	0.152	0.089	1.926
Rpim	0.035	0.021	0.505
Total number of observations	527641
Number of reflections	28322	3005	2773
<I/σ(I)>	5.9
Completeness [%]	100.0	99.8	100
Redundancy	18.6	18.8	14.1
CC(1/2)		0.998	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	277	0.1 M tris hydrochloride pH 7.5-8.5, 0.2 M magnesium acetate tetrahydrate, and 20-25 % PEG 8000