6BDP

Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000071 (Compound 9c) 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	2013-12-18
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.54178
Spacegroup name	P 21 21 2
Unit cell lengths	140.859, 39.456, 53.763
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.405 - 1.430
R-factor	0.1718
Rwork	0.170
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mua
RMSD bond length	0.008
RMSD bond angle	1.128
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (dev_2919)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.405	1.510
High resolution limit [Å]	1.430	1.430
Rpim	0.030	0.368
Number of reflections	56095	8033
<I/σ(I)>	16.7	2.1
Completeness [%]	99.5	99.3
Redundancy	4.5	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	1.0 M SODIUM CITRATE, 0.1 M SODIUM CACODYLATE PH 6.5