9XIA

X-RAY ANALYSIS OF D-XYLOSE ISOMERASE AT 1.9 ANGSTROMS: NATIVE ENZYME IN COMPLEX WITH SUBSTRATE AND WITH A MECHANISM-DESIGNED INACTIVATOR

Experimental procedure

Spacegroup name	I 2 2 2
Unit cell lengths	93.800, 100.000, 103.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.900
R-factor	0.141
RMSD bond length	0.023
RMSD bond angle	0.045
Refinement software	PROLSQ

Data quality characteristics

	Overall
High resolution limit [Å]	1.900 *
Total number of observations	71368 *
Number of reflections	36274 *
Completeness [%]	94.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7.4 *	4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	25 (mg/ml)
2	1	1	ammonium sulfate	0.76 (M)
3	1	1	PIPES	0.01 (M)