1QI6

SECOND APO FORM OF AN NADP DEPENDENT ALDEHYDE DEHYDROGENASE WITH GLU250 SITUATED 3.7 A FROM CYS284

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-06-15
Detector	ENRAF-NONIUS
Spacegroup name	P 21 21 2
Unit cell lengths	140.800, 157.500, 110.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.500
R-factor	0.232
Rwork	0.232
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1euh
RMSD bond length	0.007
RMSD bond angle	23.410 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.059	0.188
Number of reflections	81791
Completeness [%]	96.0	68.4
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	20 *	2.0 M AMMONIUM SULPHATE, 2 % PEG 400, HEPES O.1 M PH 7.5, PROTEIN 5MG/ML, pH 8.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	ammonium sulfate	2.0 (M)
3	1	reservoir	HEPES	0.1 (M)
4	1	reservoir	PEG400	2 (%)