4MUB
Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-02-15 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 139.578, 39.163, 53.577 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.800 - 1.750 |
| R-factor | 0.1727 |
| Rwork | 0.171 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.123 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.800 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 30556 | |
| <I/σ(I)> | 16.5 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.4 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 1.0 M sodium citrate, 0.1 M sodium cacodylate , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
