1D1T

MUTANT OF HUMAN SIGMA ALCOHOL DEHYDROGENASE WITH LEUCINE AT POSITION 141

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	1997-09-14
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1 21 1
Unit cell lengths	85.900, 90.500, 119.800
Unit cell angles	90.00, 99.30, 90.00

Refinement procedure

Resolution	50.000 - 2.400
R-factor	0.221
Rwork	0.216
R-free	0.27400
RMSD bond length	0.009
RMSD bond angle	24.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.510
High resolution limit [Å]	2.400	2.400
Rmerge	0.077	0.403
Total number of observations	171372 *
Number of reflections	64234
<I/σ(I)>	16.5
Completeness [%]	91.0	77
Redundancy	2.67	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.5	4 *	100 mM Cacodylate, pH 6.5, 100 mM Zinc Acetate, 7.5 mM NAD+, 18% PEG 6000, 8 mg/ml enzyme, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	cacodylate	100 (mM)
2	1	1	zinc acetate	100 (mM)
3	1	1	NAD+	7.5 (mM)
4	1	1	PEG6000	18 (%(w/v))
5	1	1	protein	8 (mg/ml)