3V15

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-11-20
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	84.889, 101.850, 162.771
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.780 - 2.600
R-factor	0.1864
Rwork	0.183
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pvj
RMSD bond length	0.008
RMSD bond angle	1.158
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.700
High resolution limit [Å]	2.600	2.600
Number of reflections	44029
<I/σ(I)>	18.4
Completeness [%]	99.7	99.7
Redundancy	4.6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	reservoir solution: 20 % (w/v) PEG 5,000 MME, 0.1 M Bis Tris/HCl (pH 6.5) protein solution: 21 mg/ml protein in 25 mM Tris/HCl (pH 7.7) containing 10 mM taurine, 0.1 (NH4)2SO4 and 20 % (v/v) glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 289K