6EZU
Schistosoma mansoni Phosphodiesterase 4A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-26 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 81.550, 81.550, 255.870 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 85.440 - 2.040 |
| R-factor | 0.20049 |
| Rwork | 0.199 |
| R-free | 0.23276 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3sl4 |
| RMSD bond length | 0.033 |
| RMSD bond angle | 2.912 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.410 | 2.090 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.071 | 1.501 |
| Rmeas | 0.075 | 1.605 |
| Rpim | 0.024 | 0.565 |
| Number of reflections | 64004 | 4668 |
| <I/σ(I)> | 14.7 | 1.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.5 | 8 |
| CC(1/2) | 0.998 | 0.545 |
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 |
