1PKK

Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-02-18
Detector	ADSC QUANTUM
Wavelength(s)	0.980
Spacegroup name	P 21 3
Unit cell lengths	110.576, 110.576, 110.576
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.100 - 1.770
R-factor	0.197
Rwork	0.197
R-free	0.21900
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.830
High resolution limit [Å]	1.770	1.770
Number of reflections	44147
<I/σ(I)>	31.1	4.1
Completeness [%]	99.9	99.7
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	nanopure water, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K