8E5Q
Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0150303 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 | 2020-08-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.769, 58.486, 90.528 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.130 - 1.330 |
R-factor | 0.1823 |
Rwork | 0.181 |
R-free | 0.21720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6bdr |
RMSD bond length | 0.008 |
RMSD bond angle | 1.049 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.530 | 1.400 |
High resolution limit [Å] | 1.330 | 1.330 |
Rpim | 0.025 | 0.785 |
Number of reflections | 57572 | 8186 |
<I/σ(I)> | 13.6 | 1 |
Completeness [%] | 99.6 | 98.7 |
Redundancy | 6.2 | 6.3 |
CC(1/2) | 0.999 | 0.557 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | Molecular Dimensions Morpheus condition 1-1: 30% Precipitant Mix 1 (30% PEG 500 MME; 20% PEG 20000), 0.06 M Divalents Mix (0.3 M magnesium chloride hexahydrate, 0.3 M calcium chloride dihydrate), 0.1 M Buffer System 1 pH 6.5 (1.0 M imidazole:MES) |