3FDD

The Crystal Structure of the Pseudomonas dacunhae Aspartate-Beta-Decarboxylase Reveals a Novel Oligomeric Assembly for a Pyridoxal-5-Phosphate Dependent Enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-01
Spacegroup name	I 2 3
Unit cell lengths	150.453, 150.453, 150.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	106.600 - 2.350
R-factor	0.17
Rwork	0.168
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.102
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	106.600	2.410
High resolution limit [Å]	2.350	2.350
Rmerge		0.057
Number of reflections	22531
Completeness [%]	100.0	99.2
Redundancy	10.6	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	298	ABDC crystals were grown at 23.5 C using the microbatch under-oil method by mixing in a 1:1 ratio, a 10.5 mg mL-1 ABDC solution in 50 mM Na-Acetate (pH 6.0) and 0.1 mM PLP with a solution containing 100 mM MgCl2, 100 mM Tris (pH 8.5), 25% (v/v) PEG 400, 10% (v/v) glycerol, temperature 298K, pH 7