1GY9

Taurine/alpha-ketoglutarate Dioxygenase from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	1998-12-15
Detector	MARRESEARCH
Spacegroup name	P 62 2 2
Unit cell lengths	116.786, 116.786, 201.937
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.180 - 2.500
R-factor	0.264
Rwork	0.261
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gqw
RMSD bond length	0.021
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.069	0.311
Number of reflections	28679
<I/σ(I)>	7.4	2.3
Completeness [%]	99.3	99.1
Redundancy	8	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		20-28% PEG1000, 20% ETHYLENE GLYCOL, 75MM IMIDAZOLE PH7.5, PROTEIN SOLUTION LOADED WITH FE(II), ALPHA-KETOGLUTARATE, TAURINE, DITHIOTHREITOL, pH 7.50