5XDE

Crystal structure of tertiary complex of TdsC from Paenibacillus sp. A11-2 with FMN and dibenzothiophene

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	2013-12-19
Detector	RIGAKU SATURN A200
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	101.220, 101.220, 424.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.657 - 1.600
R-factor	0.1957
Rwork	0.195
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.810
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall
Low resolution limit [Å]	47.700
High resolution limit [Å]	1.600
Number of reflections	286610
<I/σ(I)>	13.54
Completeness [%]	99.8
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	1.4 M ammonium sulfate, 0.1 M Tris-HCl, 12% (v/v) Glycerol