3L4P

Crystal structure of the Aldehyde Dehydrogenase (a.k.a. AOR or MOP) of Desulfovibrio gigas covalently bound to [AsO3]-

Replaces:  1ZCS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2004-07-10
Detector	MARRESEARCH
Wavelength(s)	0.933
Spacegroup name	P 61 2 2
Unit cell lengths	142.890, 142.890, 161.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.442 - 1.450
R-factor	0.143
Rwork	0.142
R-free	0.16600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vlb
RMSD bond length	0.006
RMSD bond angle	1.265
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX ((phenix.refine: 1.4_4))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.474	1.500
High resolution limit [Å]	1.450	1.450
Rmerge	0.035	0.272
Number of reflections	169887
<I/σ(I)>	16.61	3.05
Completeness [%]	99.6	97.8
Redundancy	1.92	1.93

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	277	30% isopropanol 0.2M magnesium chloride, 0.1M HEPES pH 7.6 , VAPOR DIFFUSION, SITTING DROP, temperature 277K