7MOV

PTP1B 1-301 F225Y-R199N mutations

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	2018-01-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	114.359, 90.102, 74.490
Unit cell angles	90.00, 110.93, 90.00

Refinement procedure

Resolution	37.820 - 1.650
R-factor	0.1667
Rwork	0.165
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k9v
RMSD bond length	0.018
RMSD bond angle	1.464
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.19.1_4122)
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.820	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.063	1.004
Number of reflections	80907	3446
<I/σ(I)>	16.8	1.7
Completeness [%]	95.4
Redundancy	7.2
CC(1/2)	0.999	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M Tris pH 7.4, 0.2 M Magnesium Chloride, 21.5% PEG 8000