9ENT

SSX structure of Autotaxin in cryogenic conditions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	300
Detector technology	PIXEL
Collection date	2020-10-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.8731
Spacegroup name	P 1
Unit cell lengths	53.510, 61.190, 65.010
Unit cell angles	102.57, 99.13, 93.67

Refinement procedure

Resolution	37.510 - 2.200
R-factor	0.1959
Rwork	0.194
R-free	0.23570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.643
Data reduction software	CrystFEL (v.0.10.1)
Data scaling software	CrystFEL (v.0.10.1)
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.510	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	270477	401043
<I/σ(I)>	44.5
Completeness [%]	100.0	100
Redundancy	7.77
CC(1/2)	0.950	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		303	18-22% (m/v) PEG3350, 0.1-0.3 M NH4I and 0.1-0.3 M NaSCN