1NZZ

Human mitochondrial aldehyde dehydrogenase complexed with NADH in the presence of low Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2002-10-18
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	141.307, 150.897, 177.031
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 * - 2.450
R-factor	0.22
Rwork	0.215
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cw3
RMSD bond length	0.008 *
RMSD bond angle	1.240 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000 *	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.087	0.347
Total number of observations	630390 *
Number of reflections	130904
<I/σ(I)>	13.3	3.3
Completeness [%]	94.1	70.4
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	20 *	ACES, PEG 6000, Guanidine HCl, MgCl2, DTT. Crystal soaked at increasing pH and decreasing concentrations of Mg2+ and then with NADH and 0.2 mM Mg2+ at pH 7.0 prior to data collection., pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium-ACES	100 (mM)	pH6.2-6.6
2	1	reservoir	PEG6000MW	15-19 (%(w/v))
3	1	reservoir	guanidine-HCl	100 (mM)
4	1	reservoir		10 (mM)
5	1	reservoir	dithiothreitol	8 (mM)
6	1	drop	protein	8 (mg/ml)