7CQY

Tetrathionate hydrolase from Acidithiobacillus ferrooxidans mutant - D325N

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	PIXEL
Collection date	2016-04-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	P 32
Unit cell lengths	94.315, 94.315, 235.571
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.240 - 2.800
R-factor	0.227938799273
Rwork	0.225
R-free	0.28009
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6l8a
RMSD bond length	0.003
RMSD bond angle	0.736
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.240	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.077	0.557
Rmeas	0.085	0.632
Rpim	0.038	0.294
Number of reflections	57563	5788
<I/σ(I)>	16.49	2.74
Completeness [%]	99.5	99.72
Redundancy	5.1	4.7
CC(1/2)	0.997	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG1000, sodium chloride, glycine