6B50
Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex, T157S Mutant
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 | P 21 21 2 |
| Unit cell lengths | 140.188, 39.401, 53.816 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.816 - 1.870 |
| R-factor | 0.1972 |
| Rwork | 0.194 |
| R-free | 0.23320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5byk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.202 |
| 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] | 140.190 | 1.970 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rpim | 0.046 | 0.442 |
| Number of reflections | 25205 | 3574 |
| <I/σ(I)> | 15.3 | 2 |
| Completeness [%] | 99.0 | 98 |
| Redundancy | 7 | 7.3 |
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 |
