6BB7
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-methyl-1,2-dihydropyridin-2-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9282 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 100.110, 100.110, 100.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.055 - 1.440 |
| R-factor | 0.1667 |
| Rwork | 0.166 |
| R-free | 0.17710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cxq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.056 |
| Data reduction software | xia2 |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.060 | 1.480 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.070 | |
| Number of reflections | 60595 | 4441 |
| <I/σ(I)> | 15.7 | 1.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.2 | 9.1 |
| CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 0.2 M Ammonium Acetate , 0.1 M Bis-Tris, PEG 3350 |
