8E5R

Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0150610 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	2020-09-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	140.889, 39.668, 53.839
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.840 - 1.400
R-factor	0.17
Rwork	0.169
R-free	0.19910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bdr
RMSD bond length	0.013
RMSD bond angle	1.247
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	140.890	1.480
High resolution limit [Å]	1.400	1.400
Rpim	0.022	0.817
Number of reflections	59038	8718
<I/σ(I)>	13.3	1
Completeness [%]	97.6	99.9
Redundancy	6	6.2
CC(1/2)	0.999	0.515

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	MCSG-3 condition A1: 20% PEG 8000, 0.1 M HEPES:NaOH pH 7.5