1K70

The Structure of Escherichia coli Cytosine Deaminase bound to 4-Hydroxy-3,4-Dihydro-1H-Pyrimidin-2-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-04-08
Detector	RIGAKU RAXIS IV
Spacegroup name	H 3 2
Unit cell lengths	109.500, 109.500, 240.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 1.800
R-factor	0.177 *
Rwork	0.176
R-free	0.20100
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.048 *	0.174
Total number of observations	331182 *
Number of reflections	51159 *
<I/σ(I)>		12.7
Completeness [%]	99.0	92.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	PEG 8000, magnesium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG8000	11-14 (%(w/v))
3	1	reservoir	HEPES	0.1 (M)	pH7.3-7.7
4	1	reservoir		0.2 (M)