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)