9EU5

SSX structure of Autotaxin at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	295
Detector technology	PIXEL
Collection date	2022-09-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.873
Spacegroup name	P 1
Unit cell lengths	54.510, 61.190, 65.010
Unit cell angles	102.57, 99.13, 93.67

Refinement procedure

Resolution	62.450 - 3.000
R-factor	0.2273
Rwork	0.225
R-free	0.28090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.588
Data reduction software	CrystFEL (v.0.10.1)
Data scaling software	CrystFEL
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.450	3.100
High resolution limit [Å]	3.000	3.000
Number of reflections	16129	16122
<I/σ(I)>	4.3	1.79
Completeness [%]	100.0	99.89
Redundancy	66.35	43.6
CC(1/2)	0.870	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	18-22% (m/v) PEG3350, 0.1-0.3 M NH4I and 0.1-0.3 M NaSCN