1XLI

MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT

Experimental procedure

Spacegroup name	P 31 2 1
Unit cell lengths	105.800, 105.800, 153.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.15
RMSD bond length	0.019
RMSD bond angle	0.047
Refinement software	PROLSQ

Data quality characteristics

	Overall
High resolution limit [Å]	2.500 *
Rmerge	0.059 *
Total number of observations	53652 *
Number of reflections	33486 *
Completeness [%]	95.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	18 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.6-1.7 (M)
2	1	reservoir	potassium malonate	50 (mM)
3	1	drop	enzyme	18 (mg/ml)
4	1	drop	Tris-acetate	50 (mM)