7MNA

PTP1B 1-284 F225Y-R199N 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	2018-04-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 32 2 1
Unit cell lengths	88.004, 88.004, 72.282
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.110 - 1.470
R-factor	0.1711
Rwork	0.170
R-free	0.19410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k9v
RMSD bond length	0.014
RMSD bond angle	1.419
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]	38.110	1.490
High resolution limit [Å]	1.470	1.470
Rmerge	0.045	0.525
Number of reflections	54721	2601
<I/σ(I)>	14.7	2.2
Completeness [%]	98.9
Redundancy	3.7
CC(1/2)	0.998	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M Tris pH 7.4, 0.2 M MgCl2, 16% PEG