4DOY

Crystal structure of Dibenzothiophene desulfurization enzyme C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-10
Detector	RAYONIX MX-225
Wavelength(s)	0.97623
Spacegroup name	P 1
Unit cell lengths	95.519, 98.824, 111.465
Unit cell angles	98.46, 106.99, 107.07

Refinement procedure

Resolution	35.423 - 1.789
R-factor	0.1696
Rwork	0.168
R-free	0.19360
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.970
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.789	1.800
Number of reflections	324571
Completeness [%]	96.3	95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2M Lithium sulfate monohydrate, 0.1M BIS-TRIS, 25%(w/v) Polyethylene glycol 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2M Lithium sulfate monohydrate, 0.1M BIS-TRIS, 25%(w/v) Polyethylene glycol 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K