2AH1

Crystal structure of aromatic amine dehydrogenase (AADH) from Alcaligenes faecalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.93
Spacegroup name	P 1 21 1
Unit cell lengths	70.777, 89.136, 80.324
Unit cell angles	90.00, 90.23, 90.00

Refinement procedure

Resolution	12.000 - 1.200
R-factor	0.143
Rwork	0.142
R-free	0.17000
Structure solution method	MIR
RMSD bond length	0.012
RMSD bond angle	1.543
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.9999)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.250
High resolution limit [Å]	1.200	1.200
Rmerge	0.058	0.451
Number of reflections	288444
<I/σ(I)>	12.5	2.2
Completeness [%]	95.0	91
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	292	PEG 2000 MME, ammonium sulphate, sodium cacodylate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 292K