6F4X
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 | 2016-09-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.893, 85.895, 269.306 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.947 - 1.694 |
| R-factor | 0.1986 |
| Rwork | 0.196 |
| R-free | 0.24390 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.331 | 48.331 | 1.790 |
| High resolution limit [Å] | 1.694 | 5.360 | 1.700 |
| Rmerge | 0.034 | 0.538 | |
| Rmeas | 0.084 | 0.039 | 0.635 |
| Rpim | 0.042 | 0.019 | 0.331 |
| Total number of observations | 589571 | ||
| Number of reflections | 153224 | ||
| <I/σ(I)> | 12.1 | 18.3 | 1.4 |
| Completeness [%] | 98.8 | 99.3 | 95.6 |
| Redundancy | 3.8 | 4.2 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.1M TRIS-HCl, 10% PEG 8000 |
