5BYK
Schistosoma mansoni (Blood Fluke) Sulfotransferase/S-oxamniquine Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-06 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 140.587, 39.433, 54.003 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.412 - 1.280 |
| R-factor | 0.1522 |
| Rwork | 0.152 |
| R-free | 0.17090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mua |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.105 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.000 | 1.350 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.693 | |
| Number of reflections | 76376 | |
| <I/σ(I)> | 14.9 | 2.1 |
| Completeness [%] | 97.8 | 96.7 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 1.0 M sodium citrate, 0.1 M sodium cacodylate pH 6.5 |
