7MNF

PTP1B P206G in complex with TCS401

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 32 2 1
Unit cell lengths	88.331, 88.331, 72.646
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.620 - 1.700
R-factor	0.183
Rwork	0.182
R-free	0.20210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k9v
RMSD bond length	0.012
RMSD bond angle	1.202
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.18.2_3874)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.070	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.089	0.611
Number of reflections	36493	1715
<I/σ(I)>	16.6	3.3
Completeness [%]	99.4
Redundancy	8.4
CC(1/2)	0.998	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M MgCl2, 0.1 M Tris pH 7.8, 19.5% PEG