3IWJ

Crystal structure of aminoaldehyde dehydrogenase 2 from Pisum sativum (PsAMADH2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	66.250, 86.730, 179.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.150
R-factor	0.23646
Rwork	0.234
R-free	0.28935
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iwk
RMSD bond length	0.008
RMSD bond angle	1.168
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.260
High resolution limit [Å]	2.150	2.150
Rmerge	0.059	0.442
Number of reflections	56568
<I/σ(I)>	14.7	3.4
Completeness [%]	99.2	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	18% PEG 4000, 10% isopropanol, 0.5% beta-octylglucoside, 5mM NAD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K