7ODY

Cyanophage S-2L MazG-like pyrophosphohydrolase bound to dGDP and three catalytic Mn2+ ions per active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.127129
Spacegroup name	P 21 21 21
Unit cell lengths	53.590, 91.370, 114.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.450 - 1.430
R-factor	0.1645
Rwork	0.164
R-free	0.16650
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.349
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.520	1.470
High resolution limit [Å]	1.429	1.430
Rmerge	0.089	1.938
Rmeas	0.093	2.032
Rpim	0.025	0.605
Number of reflections	104356	7504
<I/σ(I)>	14.1	1.1
Completeness [%]	99.9	98.3
Redundancy	13.1	10.9
CC(1/2)	0.999	0.579

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291.15	200 mM Li2SO4; 1.26 M (NH4)2SO4; 100 mM Tris pH 8.5