6FG5
Schistosoma mansoni Phosphodiesterase 4A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 81.799, 81.799, 256.127 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.500 - 2.350 |
| R-factor | 0.20508 |
| Rwork | 0.203 |
| R-free | 0.24514 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ezu |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.417 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.500 | 2.440 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.071 | 0.664 |
| Rpim | 0.030 | 0.278 |
| Number of reflections | 42312 | 4256 |
| <I/σ(I)> | 2.35 | |
| Completeness [%] | 99.6 | 96.6 |
| Redundancy | 6.5 | 6.4 |
| CC(1/2) | 0.999 | 0.848 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 14-16% (w/v) PEG 3350, 0.4 M ammonium sulphate |
