6ZPC

Cyanophage S-2L HD phosphohydrolase (DatZ) bound to dATP

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	2019-10-05
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980100
Spacegroup name	H 3 2
Unit cell lengths	141.650, 141.650, 53.730
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.416 - 1.268
R-factor	0.126828745694
Rwork	0.126
R-free	0.14608
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.034
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXCD
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.890	1.300
High resolution limit [Å]	1.268	1.268
Rmerge	0.066	1.287
Rmeas	0.068	1.326
Rpim	0.015	0.312
Number of reflections	54250	3890
<I/σ(I)>	21.5	2
Completeness [%]	99.8	97.7
Redundancy	19.5	17.6
CC(1/2)	1.000	0.686

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291.15	1.5 M LiSO4; 100 mM HEPES; 10 mM EDTA