5MX6

Crystal structure of H. pylori purine nucleoside phosphorylase from clinical isolate HpPNP-2

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	104.260, 119.860, 139.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.805 - 2.410
R-factor	0.1771
Rwork	0.175
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mx4
RMSD bond length	0.008
RMSD bond angle	0.957
Data reduction software	MOSFLM
Data scaling software	SCALA (0.5.1)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.805	34.800	2.470
High resolution limit [Å]	2.410	11.300	2.410
Rmerge	0.139	0.054	0.759
Rmeas	0.156	0.060	0.858
Rpim	0.069	0.025	0.393
Number of reflections	67753
<I/σ(I)>	9
Completeness [%]	99.7	97	99.3
Redundancy	4.9	5.2	4.5
CC(1/2)	0.983	0.997	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	0.2M Li2SO4, 0.1M Na acetate pH 4.5, 50% PEG 400