6XKD

Structure of ligand-bound mouse cGAMP hydrolase ENPP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97741
Spacegroup name	P 31
Unit cell lengths	102.350, 102.350, 172.891
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.640 - 3.200
R-factor	0.205
Rwork	0.201
R-free	0.27330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gtw
RMSD bond length	0.009
RMSD bond angle	1.405
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	88.638	86.446	3.370
High resolution limit [Å]	3.200	10.120	3.200
Rmerge		0.067	0.723
Rmeas	0.204	0.086	0.927
Rpim	0.124	0.052	0.573
Total number of observations	65417	2035	9061
Number of reflections	30691	954	4393
<I/σ(I)>	5.4	11.1	1.8
Completeness [%]	91.8	89.6	90.6
Redundancy	2.1	2.1	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	295	PEG 600, sodium acetate, magnesium acetate, polyvinylpyrrolidone