7ACN

CRYSTAL STRUCTURES OF ACONITASE WITH ISOCITRATE AND NITROISOCITRATE BOUND

Experimental procedure

Spacegroup name	B 1 1 2
Unit cell lengths	185.500, 72.000, 73.000
Unit cell angles	90.00, 90.00, 77.70

Refinement procedure

Resolution	8.000 * - 2.100 *
R-factor	0.161 *
Rwork	0.179
RMSD bond length	0.015
RMSD bond angle	3.090
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.100 *	2.100 *
Total number of observations	435630 *
Number of reflections	49211 *
Completeness [%]	89.9 *	54.7 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ammonium sulfate	3.7 (M)
2	1	drop	Tris-HCl	0.5 (M)
3	1	reservoir	ammonium sulfate	2.2 (M)
4	1	reservoir	Tris-HCl	0.5 (M)