5XB8

Crystal structure of dibenzothiophene monooxygenase (TdsC) from Paenibacillus sp. A11-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-13
Detector	RIGAKU SATURN A200
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	100.970, 100.970, 423.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.109 - 1.795
R-factor	0.1527
Rwork	0.151
R-free	0.17810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nf4
RMSD bond length	0.007
RMSD bond angle	0.831
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.109	1.860
High resolution limit [Å]	1.795	1.800
Number of reflections	390677
<I/σ(I)>	20.31
Completeness [%]	99.8
Redundancy	14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	1.3M Ammonium sulfate, 0.1M Tris-HCl, 12% Glycerol