2ACU

TYROSINE-48 IS THE PROTON DONOR AND HISTIDINE-110 DIRECTS SUBSTRATE STEREOCHEMICAL SELECTIVITY IN THE REDUCTION REACTION OF HUMAN ALDOSE REDUCTASE: ENZYME KINETICS AND THE CRYSTAL STRUCTURE OF THE Y48H MUTANT ENZYME

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	49.990, 67.140, 92.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 * - 1.760
R-factor	0.187
Rwork	0.187
RMSD bond length	0.014 *
RMSD bond angle	1.540 *
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9999.000 *
High resolution limit [Å]	1.760 *	1.800 *
Rmerge	0.117 *
Total number of observations	75201 *
Number of reflections	23622 *
Completeness [%]		40.8 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG	20 (%)
2	1	reservoir	citrate	50 (mM)
3	1	drop	protein	14 (mg/ml)
4	1	drop	citrate	50 (mM)
5	1	drop	beta-mercaptoethanol	7 (mM)
6	1	drop	PEG6000		in various concentrations