3AYJ

X-ray crystal structures of L-phenylalanine oxidase (deaminating and decaboxylating) from Pseudomonas sp. P501. Structures of the enzyme-ligand complex and catalytic mechanism

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-10
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	100.985, 112.941, 136.458
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.200 - 1.100
R-factor	0.112
Rwork	0.111
R-free	0.13100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yr4
RMSD bond length	0.025
RMSD bond angle	2.154
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.200	1.160
High resolution limit [Å]	1.100	1.100
Rmerge	0.043	0.398
Number of reflections	615937
Completeness [%]	98.6	97.1
Redundancy	5.3	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	297	0.1M HEPES PH7.5, 1.0M AMMONIUM SULFATE, pH 7.50, VAPOR DIFFUSION, temperature 297K