6F5A

Crystal structure of H. pylori purine nucleoside phosphorylase

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	83.748, 65.093, 140.193
Unit cell angles	90.00, 99.62, 90.00

Refinement procedure

Resolution	43.296 - 2.201
R-factor	0.2042
Rwork	0.202
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mx4
RMSD bond length	0.008
RMSD bond angle	0.992
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]	47.380	47.380	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.126	0.030	0.920
Rmeas	0.147
Number of reflections	75302
<I/σ(I)>	7.3915
Completeness [%]	99.3	98.9	98.26
Redundancy	3.72	3.96	3.7

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