1MGO

Horse Liver Alcohol Dehydrogenase Phe93Ala Mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-07-25
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	44.144, 51.308, 93.481
Unit cell angles	91.98, 103.01, 109.81

Refinement procedure

Resolution	20.000 - 1.200
R-factor	0.18772
Rwork	0.188
R-free	0.21000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hld
RMSD bond length	0.019
RMSD bond angle	1.840 *
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.27)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.073	0.290
Total number of observations	455785 *
Number of reflections	199442
<I/σ(I)>	5.3	1.5
Completeness [%]	86.6 *	84.5
Redundancy	2.25	1.46

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	6.7 *	253 *	MPD, pH 7.0, Dialysis, temperature 277K
1	Microdialysis *	6.7 *	253 *	MPD, pH 7.0, Dialysis, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	enzyme	26 (mg/ml)
2	1	2	MPD	13 (%)
3	1	2	ammmonium N-[Tris(hydroxymethyl)methyl]-2-aminoethanesulfonate buffer	50 (mM)
4	1	2	EDTA	0.25 (mM)	pH6.7
5	1	2	NAD+	20 (mM)
6	1	2	pentafluorobenzyl alcohol	100 (mM)