1UAQ

The crystal structure of yeast cytosine deaminase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2002-06-03
Detector	MAR CCD 165 mm
Wavelength(s)	0.71
Spacegroup name	P 1 21 1
Unit cell lengths	47.113, 53.681, 68.076
Unit cell angles	90.00, 105.33, 90.00

Refinement procedure

Resolution	50.000 * - 1.600
R-factor	0.177
Rwork	0.177
R-free	0.21500
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.066	0.338 *
Total number of observations	277542 *
Number of reflections	42187	3945 *
<I/σ(I)>	11.9	2.9
Completeness [%]	96.7	91.2
Redundancy	6.6	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	Hsu, Y.-H., (2003) Acta Crystallogr., Sect.D, 59, 950. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	2-propanol	10 (%)
2	1	reservoir	PEG4000	20 (%)
3	1	reservoir	sodium HEPES	0.1 (M)	pH7.5
4	1	drop	protein	30 (mg/ml)
5	1	drop	2-hydroxypyrimidine	0-20 (mM)