1XYL

THE ROLE OF THE DIVALENT METAL ION IN SUGAR BINDING, RING OPENING, AND ISOMERIZATION BY D-XYLOSE ISOMERASE: REPLACEMENT OF A CATALYTIC METAL BY AN AMINO-ACID

Experimental procedure

Spacegroup name	P 21 21 2
Unit cell lengths	87.720, 99.490, 94.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.800
R-factor	0.177
Rwork	0.177
RMSD bond length	0.014
RMSD bond angle	2.772
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	5.000 *
High resolution limit [Å]	1.800 *
Total number of observations	167580 *
Number of reflections	67901 *

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	ammonium sulfate	45 (%sat)
2	1	drop	enzyme	43 (mg/ml)
3	1	drop	PIPES	0.025 (M)
4	1	drop		0.010 (M)
5	1	drop		0.001 (M)