6SQU

Crystal structure of human SHIP2 catalytic domain in complex with 1,2,4 Dimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	44.410, 60.190, 113.960
Unit cell angles	90.00, 92.75, 90.00

Refinement procedure

Resolution	41.350 - 2.270
R-factor	0.2033
Rwork	0.201
R-free	0.25370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4a9c
RMSD bond length	0.002
RMSD bond angle	0.517
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.354	2.330
High resolution limit [Å]	2.270	2.270
Rmerge	0.079	1.061
Rmeas	0.094	1.253
Rpim	0.050	0.661
Number of reflections	27911	2067
<I/σ(I)>	9.6
Completeness [%]	99.7	99.9
Redundancy	3.4	3.5
CC(1/2)	0.998	0.538

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.17 M Ammonium sulfate, 25.5 % PEG 4000, 15 % glycerol