5KO5
Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase from Schistosoma mansoni in complex with cytosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 99.134, 99.134, 99.134 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.567 - 1.360 |
| R-factor | 0.1754 |
| Rwork | 0.175 |
| R-free | 0.19160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cxq |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.872 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.567 | 70.100 | 1.410 |
| High resolution limit [Å] | 1.360 | 5.090 | 1.360 |
| Rmerge | 0.135 | 0.113 | 1.040 |
| Number of reflections | 69723 | ||
| <I/σ(I)> | 15.9 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 10.6 | 10.7 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 10% w/v PEG 8000, 20% v/v ethylene glycol, 30mM magnesium chloride, 30mM calcium chloride, 0.1 M MES/imidazole pH 6.5 |
