6CWU

Protein Tyrosine Phosphatase 1B F135Y mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976
Spacegroup name	P 31 2 1
Unit cell lengths	89.197, 89.197, 105.734
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	77.250 - 2.080
R-factor	0.25645
Rwork	0.255
R-free	0.29122
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a5j
RMSD bond length	0.006
RMSD bond angle	1.046
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.250	2.120
High resolution limit [Å]	2.080	2.080
Rmerge	0.101	2.080
Rpim	0.033	0.655
Number of reflections	29715
<I/σ(I)>	14.4
Completeness [%]	100.0
Redundancy	10.5
CC(1/2)	0.999	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277.15	100 mM HEPES, 200 mM magnesium acetate, and 14% polyethylene glycol 8000, pH 7.5