6G7X
Crystal structure of H. pylori purine nucleoside phosphorylase soaked in PO4
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 | 2017-07-11 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.320, 91.490, 93.410 |
Unit cell angles | 90.00, 119.90, 90.00 |
Refinement procedure
Resolution | 46.753 - 1.762 |
R-factor | 0.1594 |
Rwork | 0.159 |
R-free | 0.19290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f52 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.810 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.640 | 1.860 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.093 | 0.348 |
Number of reflections | 133830 | 19209 |
<I/σ(I)> | 13 | |
Completeness [%] | 99.7 | 98.3 |
Redundancy | 6.2 | 5.7 |
CC(1/2) | 0.997 | 0.936 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.2 mol L-1 imidazole, 40% (w/v) polypropylene glycol (PPG) 400 |