6F4W
Crystal structure of H. pylori purine nucleoside phosphorylase in complex with 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 PILATUS3 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.051, 84.801, 274.462 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.081 - 2.293 |
| R-factor | 0.2052 |
| Rwork | 0.202 |
| R-free | 0.26670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mx4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.967 |
| 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] | 46.081 | 46.081 | 2.420 |
| High resolution limit [Å] | 2.293 | 7.250 | 2.293 |
| Rmerge | 0.088 | 0.929 | |
| Rmeas | 0.168 | 0.102 | 1.076 |
| Rpim | 0.083 | 0.050 | 0.534 |
| Number of reflections | 66682 | ||
| <I/σ(I)> | 5.8 | 6 | 0.8 |
| Completeness [%] | 99.4 | 98.7 | 98.6 |
| Redundancy | 4.1 | 4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.1M TRIS-HCl, 10% PEG 8000 |
