6ZPA

Cyanophage S-2L HD phosphohydrolase (DatZ) bound to dA and one catalytic Zn2+ ion

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	2018-11-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.729309
Spacegroup name	H 3 2
Unit cell lengths	141.489, 141.489, 53.601
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.844 - 0.860
R-factor	0.129509197469
Rwork	0.129
R-free	0.13477
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.945
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]	49.110	0.870
High resolution limit [Å]	0.860	0.860
Rmerge	0.105	4.749
Rmeas	0.105	4.796
Rpim	0.013	0.667
Number of reflections	172371	8517
<I/σ(I)>	27.6	1.7
Completeness [%]	100.0	100
Redundancy	61.2	51.8
CC(1/2)	1.000	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	1.5 M LiSO4; 100 mM HEPES