1A4Z

ALDEHYDE DEHYDROGENASE FROM BOVINE MITOCHONDRIA COMPLEX WITH NAD (REDUCED) AND SAMARIUM (III)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	1996-06
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 - 2.750
R-factor	0.23
Rwork	0.230
R-free	0.30200
Structure solution method	MULTIPLE ISOMORPHOUS REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	24.100 *
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	2.830
High resolution limit [Å]	2.740	2.740
Rmerge	0.080	0.180
Total number of observations	220626 *
Number of reflections	50128
<I/σ(I)>	9.6	3.5
Completeness [%]	85.0	59
Redundancy	3.2	2.3

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 1 MM SMCL3 OVERNIGHT.

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)