5OKO

Crystal structure of human SHIP2 Phosphatase-C2 double mutant F593D/L597D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.873
Spacegroup name	P 1 21 1
Unit cell lengths	44.035, 81.118, 128.900
Unit cell angles	90.00, 92.85, 90.00

Refinement procedure

Resolution	81.120 - 1.940
R-factor	0.19155
Rwork	0.190
R-free	0.22872
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.354
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.120	1.990
High resolution limit [Å]	1.940	1.940
Rpim	0.055	0.459
Number of reflections	63790
<I/σ(I)>	11.8	2.3
Completeness [%]	100.0	100
Redundancy	6.8	6.7
CC(1/2)	0.998	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M PCB (sodium propionate, sodium cacodylate, and BIS-TRIS propane; 2:1:2 molar ratio) pH 7, 25% PEG 1500