1OS7

Crystal structure of TauD with iron, alpha-ketoglutarate and Taurine bound at pH 7.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2002-04-01
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	92.594, 118.855, 118.832
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.500 * - 2.500
R-factor	0.225
Rwork	0.224
R-free	0.27800
Structure solution method	Direct methods and Molecular replacement
RMSD bond length	0.006
RMSD bond angle	1.350 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000
High resolution limit [Å]	2.500	2.500 *
Rmerge	0.059 *	0.431 *
Number of reflections	45814
Completeness [%]	99.9 *	98.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	8 *	22 *	PEG 400, 20% PEG 4000, 20% Isopropanol, 0.1 M TRIS, pH 7.5, BATCH, temperature 297K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	Tris	10 (mM)	pH8.0
2	1	1	EDTA	100 (mM)	pH8.0
3	1	1	nitrogen	95 (%)
4	1	1	hydrogen gas	5 (%)