8C3P

Crystal structure of autotaxin gamma in complex with LPA 18:1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	53.940, 57.220, 287.926
Unit cell angles	90.00, 92.72, 90.00

Refinement procedure

Resolution	53.880 - 2.380
R-factor	0.2249
Rwork	0.222
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.552
Data reduction software	XDS (Jan 10, 2022 (BUILT 20220110))
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.1.2)
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	143.800	2.430
High resolution limit [Å]	2.380	2.380
Number of reflections	70051	3680
<I/σ(I)>	6.5
Completeness [%]	98.8
Redundancy	6.1
CC(1/2)	0.976	0.401

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	18-22 % PEG 3350, 0,1-0,4 M Ammonium Iodide, 0,1-0,4 M Sodium Thiocyanate