2AT1

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	122.200, 122.200, 156.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	6.000 - 2.800
R-factor	0.17 *
Rwork	0.170
RMSD bond length	0.017
RMSD bond angle	3.400
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	6.000 *
High resolution limit [Å]	2.800 *
Rmerge	0.067 *
Total number of observations	58554 *
Number of reflections	22862 *
Completeness [%]	79.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.8 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	enzyme	15 (mg/ml)
2	1	1	PAM	20 (mM)
3	1	1	malonate	20 (mM)
4	1	1	sodium azide	3 (mM)