3SWT

Crystal Structure of the Taurine catabolism dioxygenase, TauD from Mycobacterium marinum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-24
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97
Spacegroup name	P 21 2 21
Unit cell lengths	69.098, 89.078, 104.703
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.050
R-factor	0.1879
Rwork	0.186
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.357
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.090
High resolution limit [Å]	2.050	5.560	2.050
Rmerge	0.104	0.033	0.457
Number of reflections	40618
<I/σ(I)>	7.7
Completeness [%]	98.5	99.7	90.5
Redundancy	5.8	5.8	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	44 mg/ml. 20% PEG 3350, 200mM potassium citrate. 25% ethylene glycol (cryoprotection), pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K