1AMI

STERIC AND CONFORMATIONAL FEATURES OF THE ACONITASE MECHANISM

Experimental procedure

Spacegroup name	B 1 1 2
Unit cell lengths	185.900, 71.800, 73.200
Unit cell angles	90.00, 90.00, 77.70

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.182
Rwork	0.182
RMSD bond length	0.015
RMSD bond angle	3.060
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.000 *	2.000 *
Rmerge	0.081 *
Total number of observations	410465 *
Number of reflections	60743 *
Completeness [%]	95.4	61.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7 *	22 *

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)