7OP9

Purine nucleoside phosphorylase(DeoD-type) from H. pylori with 2,6-dichloropurine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-30
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00
Spacegroup name	P 1
Unit cell lengths	93.419, 93.428, 95.459
Unit cell angles	81.91, 79.35, 60.09

Refinement procedure

Resolution	42.590 - 1.500
R-factor	0.1734
Rwork	0.173
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f4x
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.831	46.831	1.590
High resolution limit [Å]	1.500	4.480	1.500
Rmerge	0.061	0.038	0.343
Rmeas	0.087	0.054	0.485
Number of reflections	773378	29614	117742
<I/σ(I)>	6.59	17.06	1.39
Completeness [%]	87.8	89.7	82.6
Redundancy	2.6
CC(1/2)	0.994	0.992	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294.15	0.2 M imidazole pH 7,0, PPG 400