6MFE

Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000773 (Compound 11g) 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	2015-01-09
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.54178
Spacegroup name	P 21 21 2
Unit cell lengths	140.553, 39.565, 53.674
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.656 - 1.444
R-factor	0.1665
Rwork	0.165
R-free	0.21050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mua
RMSD bond length	0.010
RMSD bond angle	1.353
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]	42.660	1.520
High resolution limit [Å]	1.440	1.440
Rpim	0.027	0.351
Number of reflections	52276	6778
<I/σ(I)>	17.2	2.1
Completeness [%]	95.7	86.2
Redundancy	6.7	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	1.0 M sodium citrate, 0.1 M sodium cacodylate, pH 6.5