1K6W

The Structure of Escherichia coli Cytosine Deaminase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-12-07
Detector	ADSC QUANTUM 4
Wavelength(s)	1.011
Spacegroup name	H 3 2
Unit cell lengths	109.150, 109.150, 240.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 1.750
R-factor	0.156 *
Rwork	0.155
R-free	0.17400 *
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.412 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	1.860
High resolution limit [Å]	1.750	1.750
Rmerge	0.047	0.074
Total number of observations	362081 *
Number of reflections	55774 *
<I/σ(I)>	42.7	26.8
Completeness [%]	99.8	98.6 *

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)