7L0C

Ligand-free 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	88.506, 88.506, 104.432
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.250 - 1.800
R-factor	0.1636
Rwork	0.163
R-free	0.17480
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	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.128	0.059	1.487
Rmeas	0.132	0.061	1.540
Rpim	0.030	0.014	0.397
Total number of observations	834945
Number of reflections	44228	4645	4325
<I/σ(I)>	5.8
Completeness [%]	99.9	99.7	100
Redundancy	18.9	19	14.8
CC(1/2)		0.999	0.699

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