2ACQ

AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	49.940, 67.170, 91.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 * - 1.760
R-factor	0.166
Rwork	0.166
RMSD bond length	0.012
RMSD bond angle	1.400
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	0.050 *
Total number of observations	63370 *
Number of reflections	20854 *
Completeness [%]		56.8 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	14 (mg/ml)
2	1	drop	citrate	25 (mM)
3	1	drop	beta-mercaptoethanol	7 (mM)
4	1	reservoir	PEG6000	20 (%)
5	1	reservoir	citrate	50 (mM)