6CTS

PROPOSED MECHANISM FOR THE CONDENSATION REACTION OF CITRATE SYNTHASE. 1.9-ANGSTROMS STRUCTURE OF THE TERNARY COMPLEX WITH OXALOACETATE AND CARBOXYMETHYL COENZYME A

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	104.000, 78.100, 58.300
Unit cell angles	90.00, 78.90, 90.00

Refinement procedure

Resolution	6.000 - 2.500
R-factor	0.11
RMSD bond length	0.008
RMSD bond angle	3.200
Refinement software	TNT

Data quality characteristics

	Overall
High resolution limit [Å]	1.900 *
Total number of observations	61965 *
Number of reflections	30444 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6 *		took Remington et al., 1982 from original paper *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7.0 (mg/ml)
2	1	drop	sodium citrate	0.9 (M)
3	1	reservoir	sodium citrate	1.2 (M)
4	1	reservoir	coenzyme A	1 (mM)