3V17

Crystal structure of the Fe(II)/alpha-ketoglutarate dependent taurine dioxygenase from Pseudomonas putida KT2440

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-23
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	P 32 2 1
Unit cell lengths	112.093, 112.093, 214.018
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.570
R-factor	0.1802
Rwork	0.178
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pvj
RMSD bond length	0.003
RMSD bond angle	0.729
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.640
High resolution limit [Å]	2.570	2.570
Number of reflections	50975
<I/σ(I)>	17.17
Completeness [%]	99.9	100
Redundancy	5.5	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	reservoir solution: 15 % (w/v) PEG 1,000, 40 % (v/v) PEG 400, 0.15 M NaK phosphate, 0.1 M imidazole chloride protein solution: 27 mg/ml protein in 25 mM Tris/HCl (pH 7.7) drop set up: 0.3 l + 0.3 l, VAPOR DIFFUSION, HANGING DROP, temperature 289K