6F5I
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 | 85.332, 59.609, 136.440 |
| Unit cell angles | 90.00, 102.15, 90.00 |
Refinement procedure
| Resolution | 44.444 - 2.298 |
| R-factor | 0.194 |
| Rwork | 0.191 |
| R-free | 0.25230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mx4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| 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] | 133.384 | 47.484 | 2.420 |
| High resolution limit [Å] | 2.298 | 7.270 | 2.300 |
| Rmerge | 0.068 | 0.805 | |
| Rmeas | 0.253 | 0.073 | 0.879 |
| Rpim | 0.101 | 0.028 | 0.347 |
| Number of reflections | 60022 | ||
| <I/σ(I)> | 7.5 | 9.5 | 0.9 |
| Completeness [%] | 99.6 | 99.5 | 97.9 |
| Redundancy | 6.2 | 6.6 | 6.3 |
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 |
