4WQ7

Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - "as isolated" form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100.15
Detector technology	PIXEL
Collection date	2013-03-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.722
Spacegroup name	C 1 2 1
Unit cell lengths	79.213, 69.883, 57.864
Unit cell angles	90.00, 129.25, 90.00

Refinement procedure

Resolution	44.810 - 1.980
R-factor	0.1408
Rwork	0.138
R-free	0.18960
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.578
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: dev_1830))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.810	2.060
High resolution limit [Å]	1.980	1.980
Rmerge	0.070	0.280
Number of reflections	29056
<I/σ(I)>	9.5	3.76
Completeness [%]	87.0	70
Redundancy	1.8	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.28	293.15	23.5% (w/v) PEG 3350 0.1 M Bis-Tris pH 6.28 0.2 M (NH4)2SO4 0.1 M NaI