1EZ0

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

Replaces:  1CO3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	80
Detector technology	AREA DETECTOR
Collection date	1998-03-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	79.380, 131.180, 92.540
Unit cell angles	90.00, 92.49, 90.00

Refinement procedure

Resolution	26.440 - 2.100
Rwork	0.215
R-free	0.24600
Structure solution method	MR
Starting model (for MR)	1eyy
RMSD bond length	0.006
RMSD bond angle	22.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.027	0.051
Total number of observations	189982 *
Number of reflections	92467
<I/σ(I)>	24.9
Completeness [%]	83.9	73.7
Redundancy	1.89	1.93

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)