6C02

Human ectonucleotide pyrophosphatase / phosphodiesterase 3 (ENPP3, NPP3, CD203c), inactive (T205A), N594S, with alpha,beta-methylene-ATP (AMPCPP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-24
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	78.656, 169.457, 79.062
Unit cell angles	90.00, 103.87, 90.00

Refinement procedure

Resolution	48.619 - 1.942
R-factor	0.1683
Rwork	0.166
R-free	0.19740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b56
RMSD bond length	0.004
RMSD bond angle	0.672
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.010
High resolution limit [Å]	1.942	1.942
Number of reflections	146812
<I/σ(I)>	14.1
Completeness [%]	100.0
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M HEPES pH 7, 8% PEG 8000