5DLT

Crystal structure of Autotaxin (ENPP2) with 7-alpha-hydroxycholesterol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-08-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97935
Spacegroup name	P 1
Unit cell lengths	53.671, 63.482, 70.715
Unit cell angles	98.72, 105.80, 99.97

Refinement procedure

Resolution	44.020 - 1.600
R-factor	0.1725
Rwork	0.171
R-free	0.19640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xr9
RMSD bond length	0.012
RMSD bond angle	1.450
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0129)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.020	44.020	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.065	0.029	0.868
Rpim	0.061	0.027	0.815
Total number of observations	205646	1345	9720
Number of reflections	105202
<I/σ(I)>	6.7	23.9	0.8
Completeness [%]	92.1	92	88.9
Redundancy	2	2.1	1.9
CC(1/2)	0.997	0.996	0.437

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	PEG 3350, 0.1M ammonium iodide 0.3M sodium thiocyanate, 23.5mg/ml heparin sulfate