6I28

Crystal Structure of Cydia Pomonella PTP-2 phosphatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	I 2 2 2
Unit cell lengths	64.690, 66.720, 97.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.702 - 1.650
R-factor	0.1872
Rwork	0.185
R-free	0.22390
Structure solution method	SAD
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.440	46.440	1.680
High resolution limit [Å]	1.650	9.040	1.650
Rmerge	0.171	0.033	3.937
Rmeas	0.178	0.034	4.085
Rpim	0.047	0.010	1.082
Total number of observations	365717
Number of reflections	25886	191	1250
<I/σ(I)>	11.2
Completeness [%]	100.0	98.7	100
Redundancy	14.1	10.5	14.2
CC(1/2)	0.999	0.999	0.404

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	HEPES-NaOH pH 7.5, 200mM CaCl2, 14%-20% PEG 6000