5MX4

Crystal structure of H. pylori purine nucleoside phosphorylase from clinical isolate HpPNP-1

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	2014-11-03
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9781
Spacegroup name	P 21 21 21
Unit cell lengths	74.190, 129.492, 156.019
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.768 - 2.310
R-factor	0.1828
Rwork	0.180
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB code 1k9s
RMSD bond length	0.008
RMSD bond angle	0.939
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.768	48.768	2.450
High resolution limit [Å]	2.310	6.860	2.310
Rmerge	0.075	0.031	0.288
Rmeas	0.083	0.034	0.317
Number of reflections	67351	2760	10442
<I/σ(I)>	16.81	39.86	5.31
Completeness [%]	99.5	99.1	98
Redundancy	5.6
CC(1/2)	0.998	0.998	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.2M MgCl2, 0.1M Tris-HCl pH 7.0, 10% PEG 8000