5TIV
Schistosoma haematobium (Blood Fluke) Sulfotransferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.595, 73.561, 139.624 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.479 - 1.430 |
| R-factor | 0.1603 |
| Rwork | 0.159 |
| R-free | 0.19060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mua |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.003 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 139.620 | 1.510 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.901 | |
| Number of reflections | 50294 | |
| <I/σ(I)> | 18.3 | 2 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 7 | 7.2 |
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; PEG 1000; PEG 3350) |
