6B52
Schistosoma haematobium (Blood Fluke) Sulfotransferase/Oxamniquine Complex, Y54F Mutant
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 | 2014-02-05 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9789 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.429, 72.551, 140.307 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.154 - 1.800 |
| R-factor | 0.1896 |
| Rwork | 0.186 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tiv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.221 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.150 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rpim | 0.021 | 0.166 |
| Number of reflections | 25230 | 3611 |
| <I/σ(I)> | 20 | 4.5 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.06 M (magnesium chloride, calcium chloride), 0.1 M (Tris, Bicine), pH 8.5, 37.5% (MPD, PEG1000, PEG3350) |
