2ONP

Arg475Gln Mutant of Human Mitochondrial Aldehyde Dehydrogenase, complexed with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-11-01
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	142.854, 150.837, 177.482
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.970 - 2.000
R-factor	0.207
Rwork	0.204
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o01
RMSD bond length	0.010
RMSD bond angle	1.500
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]	99.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.061	0.264
Number of reflections	251665
<I/σ(I)>	14.9
Completeness [%]	97.3	87.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.6	293	100 mM ACES (N-[2-Acetamido]-2-aminoethane sufonic acid), 10mM MgCl2, 100 mM Guanidine HCl, 16% w/v PEG 6000, 8 mM DTT, pH 6.6, vapor diffusion, temperature 293K
1	VAPOR DIFFUSION	6.6	293	100 mM ACES (N-[2-Acetamido]-2-aminoethane sufonic acid), 10mM MgCl2, 100 mM Guanidine HCl, 16% w/v PEG 6000, 8 mM DTT, pH 6.6, vapor diffusion, temperature 293K