7OOZ
Purine nucleoside phosphorylase(DeoD-type) from H. pylori with 6-benzyloxo-2-chloropurine
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 | 2017-07-12 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 3 |
Unit cell lengths | 113.736, 113.736, 113.736 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.210 - 1.700 |
R-factor | 0.162 |
Rwork | 0.161 |
R-free | 0.18840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f4x |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.433 | 46.433 | 1.800 |
High resolution limit [Å] | 1.700 | 5.070 | 1.700 |
Rmerge | 0.116 | 0.053 | 1.060 |
Rmeas | 0.132 | 0.060 | 1.207 |
Number of reflections | 104465 | 3944 | 16888 |
<I/σ(I)> | 8.67 | 26.09 | 1.26 |
Completeness [%] | 99.8 | 99.5 | 99.5 |
Redundancy | 8.6 | ||
CC(1/2) | 0.996 | 0.997 | 0.518 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 294.15 | 12% PEG 8000, 0,1 M Tris pH 7.6, 0.02M MgCl2 |