1HDX

THREE-DIMENSIONAL STRUCTURES OF THREE HUMAN ALCOHOL DEHYDROGENASE VARIANTS: CORRELATIONS WITH THEIR FUNCTIONAL DIFFERENCES

Experimental procedure

Spacegroup name	P 1
Unit cell lengths	54.580, 44.940, 94.300
Unit cell angles	92.29, 103.37, 68.97

Refinement procedure

Resolution	7.000 - 2.500
R-factor	0.179
Rwork	0.179
RMSD bond length	0.014
RMSD bond angle	3.120
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.360 *
Rmerge	0.005 *
Total number of observations	49969 *
Number of reflections	21574 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium phosphate	50 (mM)
2	1	reservoir	NAD+	1 (mM)
3	1	reservoir	cyclohexanol	50 (mM)
4	1	reservoir	enzyme	12 (mg/ml)
5	1	reservoir	PEG8000	13 (%(w/v))