5LQQ

Structure of Autotaxin (ENPP2) with LM350

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-25
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97925
Spacegroup name	P 1 21 1
Unit cell lengths	62.655, 89.067, 77.509
Unit cell angles	90.00, 102.88, 90.00

Refinement procedure

Resolution	46.000 - 2.400
R-factor	0.2194
Rwork	0.217
R-free	0.26210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xr9
RMSD bond length	0.007
RMSD bond angle	1.207
Data reduction software	XDS
Data scaling software	Aimless (0.5.26)
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (refmac_5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.000	46.000	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.074	0.023	0.655
Rmeas	0.090
Rpim	0.050
Total number of observations	98094
Number of reflections	32432
<I/σ(I)>	12.9
Completeness [%]	99.6	98.8	99.4
Redundancy	3	3.1	3
CC(1/2)	0.998	0.999	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	22% PEG 3350, NH4I (0.2M), NaSCN (0.1M)