5IJQ

Crystal structure of autotaxin (ENPP2) re-refined

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.283
Spacegroup name	P 1
Unit cell lengths	53.808, 63.289, 70.471
Unit cell angles	98.78, 106.22, 99.77

Refinement procedure

Resolution	20.000 - 2.050
R-factor	0.1562
Rwork	0.154
R-free	0.19740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gsn
RMSD bond length	0.008
RMSD bond angle	1.360
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (refmac_5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.100	0.380
Number of reflections	52153
<I/σ(I)>	13.9	2.49
Completeness [%]	96.8	93.9
Redundancy	4.8	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	Protein buffer: 3.5-5.0 mg/ml autotaxin in 50 mM Tris pH 8.0 and 150 mM NaCl Crystallization condition: 20% PEG 3350, 0.2 M ammonium iodide, 0.3 M sodium thiocyanate