1MAR

REFINED 1.8 ANGSTROMS STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH THE POTENT INHIBITOR ZOPOLRESTAT

Experimental procedure

Spacegroup name	P 1
Unit cell lengths	47.640, 48.040, 40.480
Unit cell angles	64.47, 76.77, 76.07

Refinement procedure

Resolution	12.000 - 1.800
R-factor	0.18
Rwork	0.180
RMSD bond length	0.006
RMSD bond angle	1.650
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	1.800 *
Rmerge	0.034 *
Total number of observations	53037 *
Number of reflections	26145 *
Completeness [%]	90.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ALR2	7 (mg/ml)
2	1	drop	zopolrestat	0.2 (mM)
3	1	drop	2-mercaptoethanol	3.5 (mM)
4	1	drop	citrate	25 (mM)
5	1	reservoir	PEG6000	17 (%)
6	1	reservoir	2-mercaptoethanol	7 (mM)
7	1	reservoir	citrate	50 (mM)