2III

Crystal structure of the adenosylmethionine decarboxylase (aq_254) from aquifex aeolicus vf5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-06-30
Detector	RIGAKU RAXIS V
Wavelength(s)	0.9788
Spacegroup name	P 41 21 2
Unit cell lengths	41.792, 41.792, 134.921
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.960 - 2.300
R-factor	0.188
Rwork	0.188
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tlu
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.075	0.152
Number of reflections	5729
Completeness [%]	97.6	97.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	293	0.2M Calcium Acetate hydrate, 20% PEG 3350, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K