1O05

Apo form of human mitochondrial aldehyde dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1999-11-03
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	141.180, 151.940, 177.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.000 * - 2.250
R-factor	0.18
Rwork	0.174
R-free	0.22600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cw3
RMSD bond length	0.007 *
RMSD bond angle	23.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.000 *	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.072	0.214
Total number of observations	500412 *
Number of reflections	165756
<I/σ(I)>	14.3	3.5
Completeness [%]	91.4	62
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.2 *	293	Ni, L., (1999) Protein Sci., 8, 2784. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	8 (mg/ml)
2	1	2	ACES	100 (mM)
3	1	2	guanidine-HCl	100 (mM)
4	1	2	NAD+	2 (mM)
5	1	2	dithiothreitol	3 (mM)
6	1	2	PEG6000	17 (%(w/v))