2EG4

Crystal Structure of Probable Thiosulfate Sulfurtransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-13
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	62.694, 71.218, 115.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.810 - 1.700
R-factor	0.222
Rwork	0.222
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eg3
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.037	0.300
Number of reflections	57706
<I/σ(I)>	39.8	6.4
Completeness [%]	99.8	100
Redundancy	7.2	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	1.4M ammonium sulfate, 10mM DTT, 0.1M NA/K phosphate buffer, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K