6B53
Schistosoma haematobium (Blood Fluke) Sulfotransferase, S166T 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 1 21 1 |
Unit cell lengths | 44.094, 139.510, 45.193 |
Unit cell angles | 90.00, 108.81, 90.00 |
Refinement procedure
Resolution | 36.468 - 1.600 |
R-factor | 0.1856 |
Rwork | 0.164 |
R-free | 0.21570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tiv |
RMSD bond length | 0.007 |
RMSD bond angle | 1.152 |
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] | 139.510 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rpim | 0.058 | 0.428 |
Number of reflections | 67658 | 9924 |
<I/σ(I)> | 13.2 | 2 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 3.7 | 3.7 |
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) |