3AT1

CRYSTAL STRUCTURES OF PHOSPHONOACETAMIDE LIGATED T AND PHOSPHONOACETAMIDE AND MALONATE LIGATED R STATES OF ASPARTATE CARBAMOYLTRANSFERASE AT 2.8-ANGSTROMS RESOLUTION AND NEUTRAL PH

Experimental procedure

Spacegroup name	P 3 2 1
Unit cell lengths	122.400, 122.400, 142.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 * - 2.800
R-factor	0.181 *
Rwork	0.181
RMSD bond length	0.019
RMSD bond angle	3.700
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	6.000 *
High resolution limit [Å]	2.800 *
Rmerge	0.079 *
Total number of observations	73039 *
Number of reflections	22745 *
Completeness [%]	87.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	5.8 *		referred to Proc.Nat.Acad.Sci.,U.S.A.86.845-848 1989 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	2	sodium citrate	40 (mM)
2	1	2	2-mercaptoethanol	1 (mM)
3	1	2	EDTA	0.2 (mM)
4	1	2	CTP	1 (mM)
5	1	1	enzyme