1XYC

X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS

Experimental procedure

Spacegroup name	P 21 21 2
Unit cell lengths	87.700, 99.300, 94.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.190
R-factor	0.159
Rwork	0.159
RMSD bond length	0.013
RMSD bond angle	2.700
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	9999.000 *
High resolution limit [Å]	2.190 *
Rmerge	0.043 *
Total number of observations	417620 *
Number of reflections	42123 *
Completeness [%]	98.0 *

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)