1EYY

CRYSTAL STRUCTURE OF THE NADP+ DEPENDENT ALDEHYDE DEHYDROGENASE FROM VIBRIO HARVEYI.

Replaces:  1CBZ

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	80
Detector technology	CCD
Collection date	1997-07-24
Detector	BRANDEIS
Spacegroup name	P 1 21 1
Unit cell lengths	79.550, 131.360, 92.800
Unit cell angles	90.00, 92.44, 90.00

Refinement procedure

Resolution	25.770 - 2.500
Rwork	0.206
R-free	0.23900
Structure solution method	MIR AND MAD
RMSD bond length	0.006
RMSD bond angle	22.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.200	2.570
High resolution limit [Å]	2.480	2.480
Rmerge	0.056	0.118
Total number of observations	218666 *
Number of reflections	130457
<I/σ(I)>	14.7
Completeness [%]	98.1	95.3
Redundancy	1.67	1.622

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	290	Croteau, N., (1996) Protein Sci., 5, 2130. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	18-30 (%(w/v))
2	1	reservoir	sodium acetate	200 (mM)
3	1	reservoir	sodium cacodylate	100 (mM)