6WG5

Human ectonucleoside triphosphate diphosphohydrolase 4 (ENTPD4, NTPDase 4)

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	CCD
Collection date	2016-10-05
Detector	RAYONIX MX-300
Wavelength(s)	0.97959
Spacegroup name	P 21 21 21
Unit cell lengths	56.378, 101.820, 129.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.322 - 2.600
R-factor	0.1774
Rwork	0.174
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zx3
RMSD bond length	0.002
RMSD bond angle	0.521
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.600	2.600
Rmeas	0.108
Number of reflections	22486	1864
<I/σ(I)>	18.5	1.5
Completeness [%]	95.0
Redundancy	7.2
CC(1/2)	1.000	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Na/K tartrate, 20% PEG 3350, cryo-protected with 20% glycerol