6B4Z

Schistosoma mansoni (Blood Fluke) Sulfotransferase, T157S Mutant

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	2014-05-16
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.54178
Spacegroup name	P 21 21 2
Unit cell lengths	140.005, 39.316, 54.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.796 - 1.740
R-factor	0.1757
Rwork	0.173
R-free	0.20770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5byk
RMSD bond length	0.006
RMSD bond angle	1.115
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]	46.670	1.830
High resolution limit [Å]	1.740	1.740
Rpim	0.050	0.426
Number of reflections	31578	4517
<I/σ(I)>	14	2
Completeness [%]	100.0	100
Redundancy	6.8	6.8

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