6UUY
Schistosoma haematobium (Blood Fluke) Sulfotransferase/Hycanthone Complex
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 | PIXEL |
Collection date | 2017-06-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.690, 73.210, 138.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 69.390 - 1.370 |
R-factor | 0.1484 |
Rwork | 0.148 |
R-free | 0.17620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tiy |
RMSD bond length | 0.005 |
RMSD bond angle | 0.904 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 138.790 | 1.440 |
High resolution limit [Å] | 1.370 | 1.370 |
Rmerge | 0.115 | 2.650 |
Rmeas | 0.120 | 2.803 |
Rpim | 0.034 | 0.900 |
Number of reflections | 111426 | 16107 |
<I/σ(I)> | 11.6 | 1.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.1 | 9.6 |
CC(1/2) | 0.997 | 0.443 |
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 |