6F52

Crystal structure of H. pylori purine nucleoside phosphorylase in complex with PO4 and formycin A

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	2015-11-24
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	83.617, 64.792, 140.727
Unit cell angles	90.00, 99.37, 90.00

Refinement procedure

Resolution	47.368 - 2.000
R-factor	0.2074
Rwork	0.205
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mx4
RMSD bond length	0.008
RMSD bond angle	0.931
Data reduction software	XDS
Data scaling software	SCALA (CCP4_3.3.22)
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.370	47.370	2.110
High resolution limit [Å]	2.000	6.330	2.000
Rmerge	0.104	0.050	0.800
Rmeas	0.122
Number of reflections	100026
<I/σ(I)>	7.6999
Completeness [%]	99.3	99.62	98.06
Redundancy	3.67	3.99	3.54

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.2M MgCl2, 0.1M TRIS-HCl, 10% PEG 8000