6B51
Schistosoma haematobium (Blood Fluke) Sulfotransferase, 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) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 51.861, 71.957, 139.317 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.659 - 2.050 |
| R-factor | 0.2029 |
| Rwork | 0.198 |
| R-free | 0.24280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tiv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.310 |
| 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] | 139.320 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rpim | 0.032 | 0.336 |
| Number of reflections | 16155 | 2202 |
| <I/σ(I)> | 13.3 | 2 |
| Completeness [%] | 96.3 | 92 |
| Redundancy | 6.1 | 5.3 |
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) |
