7MFH

Crystal structure of BIO-32546 bound mouse Autotaxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	93
Detector technology	PIXEL
Collection date	2021-03-27
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97
Spacegroup name	P 1
Unit cell lengths	61.020, 61.620, 67.320
Unit cell angles	89.07, 74.20, 79.88

Refinement procedure

Resolution	46.130 - 2.300
R-factor	0.2176
Rwork	0.215
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nkm
RMSD bond length	0.003
RMSD bond angle	0.606
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.130	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.080	0.880
Number of reflections	40464	4035
<I/σ(I)>	7.7
Completeness [%]	98.0
Redundancy	2.7
CC(1/2)	0.990	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	0.2M ammonium iodide, 0.1M sodium iodide, 28% PEG3350