6ZPB

Cyanophage S-2L HD phosphohydrolase (DatZ) bound to dA and two catalytic Co2+ ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033202
Spacegroup name	H 3 2
Unit cell lengths	141.827, 141.827, 53.725
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.436 - 1.721
R-factor	0.147191339442
Rwork	0.146
R-free	0.17021
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.282
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]	40.440	1.770
High resolution limit [Å]	1.720	1.720
Rmerge	0.083	0.307
Rmeas	0.086	0.338
Rpim	0.022	0.137
Number of reflections	21613	1400
<I/σ(I)>	25	5.1
Completeness [%]	98.4	88
Redundancy	14.2	5.7
CC(1/2)	0.999	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	1.5 M LiSO4; 100 mM HEPES; 10 mM CoCl2