6F52
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 | 2015-11-24 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.617, 64.792, 140.727 |
Unit cell angles | 90.00, 99.37, 90.00 |
Refinement procedure
Resolution | 47.368 - 2.000 |
R-factor | 0.2074 |
Rwork | 0.205 |
R-free | 0.24650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mx4 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.931 |
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] | 47.370 | 47.370 | 2.110 |
High resolution limit [Å] | 2.000 | 6.330 | 2.000 |
Rmerge | 0.104 | 0.050 | 0.800 |
Rmeas | 0.122 | ||
Number of reflections | 100026 | ||
<I/σ(I)> | 7.6999 | ||
Completeness [%] | 99.3 | 99.62 | 98.06 |
Redundancy | 3.67 | 3.99 | 3.54 |
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 |