6UUX
Schistosoma mansoni (Blood Fluke) Sulfotransferase/Hycanthone Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-08-26 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 139.620, 39.300, 54.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.290 - 1.500 |
| R-factor | 0.1708 |
| Rwork | 0.169 |
| R-free | 0.20860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5byk |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.008 |
| 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] | 39.300 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.115 | 1.429 |
| Rmeas | 0.119 | 1.499 |
| Rpim | 0.028 | 0.447 |
| Number of reflections | 48756 | 7017 |
| <I/σ(I)> | 15.1 | 1.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 17.7 | 10.7 |
| CC(1/2) | 0.999 | 0.382 |
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 |
