1AG8

ALDEHYDE DEHYDROGENASE FROM BOVINE MITOCHONDRIA

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	1996-08
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	122.600, 198.400, 91.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.650
R-factor	0.217
Rwork	0.217
R-free	0.28200
Structure solution method	MULTIPLE ISOMORPHOUS REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	24.000 *
Data reduction software	bioteX
Data scaling software	bioteX
Phasing software	PHASES
Refinement software	XTALVIEW

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	2.730
High resolution limit [Å]	2.640	2.640
Rmerge	0.077	0.149
Total number of observations	213121 *
Number of reflections	55485
<I/σ(I)>	11.3	4.5
Completeness [%]	83.0	59
Redundancy	3.8	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.5		14% PEG 8000, 100 MM MES, PH 6.5, 0.2 MM MGCL2, 1MM NAD; THEN SOAKED IN SAME SOLUTION WITHOUT NAD OR MGCL2 FOR 1 WEEK.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	MES	100 (mM)
2	1	drop	NAD+	1 (mM)
3	1	drop		0.2 (mM)
4	1	drop	PEG8000	14 (%(w/v))
5	1	drop	enzyme	8 (mg/ml)