6L8A

Tetrathionate hydrolase from Acidithiobacillus ferrooxidans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 32
Unit cell lengths	91.026, 91.026, 231.845
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.365 - 1.950
R-factor	0.179181906088
Rwork	0.177
R-free	0.21912
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.963
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.400	2.020
High resolution limit [Å]	1.950	1.950
Rmeas	0.109	0.563
Number of reflections	156219	15660
<I/σ(I)>	20.7	2.9
Completeness [%]	99.7	99.9
Redundancy	3.8	3.8
CC(1/2)	0.997	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	sodium chloride, glycine, PEG 1000