3XIS

A METAL-MEDIATED HYDRIDE SHIFT MECHANISM FOR XYLOSE ISOMERASE BASED ON THE 1.6 ANGSTROMS STREPTOMYCES RUBIGINOSUS STRUCTURES WITH XYLITOL AND D-XYLOSE

Experimental procedure

Spacegroup name	I 2 2 2
Unit cell lengths	94.640, 99.970, 103.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.600
R-factor	0.151
RMSD bond length	0.022
RMSD bond angle	0.032
Refinement software	PROLSQ

Data quality characteristics

	Overall
High resolution limit [Å]	1.580 *
Total number of observations	257891 *
Number of reflections	53789 *
Completeness [%]	82.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	8.0 (mg/ml)
2	1	drop	ammonium sulfate	21 (%sat)
3	1	drop		0.5 (mM)
4	1	drop	HEPES	50 (mM)
5	1	reservoir	ammonium sulfate	43 (%sat)
6	1	reservoir	HEPES	50 (mM)