4CTS

CRYSTAL STRUCTURE ANALYSIS AND MOLECULAR MODEL OF A COMPLEX OF CITRATE SYNTHASE WITH OXALOACETATE AND S-ACETONYL-COENZYME A

Experimental procedure

Spacegroup name	P 43 21 2
Unit cell lengths	101.540, 101.540, 224.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	5.000 - 2.900
R-factor	0.182 *
Rwork	0.182
RMSD bond length	0.015
RMSD bond angle	2.600
Refinement software	EREF

Data quality characteristics

	Overall
Low resolution limit [Å]	2.950 *
High resolution limit [Å]	2.900 *
Rmerge	0.107 *
Total number of observations	55485 *
Number of reflections	18318 *
Completeness [%]	63.3 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	citrate synthase	10 (mg/ml)
2	1	2	Tris-HCl	0.1 (M)
3	1	2	oxaloacetate	4 (mM)
4	1	2	S-acetonyl-coenzyme A	10 (ml)
5	1	2	polyvinylpyrrolidone	40 (%(w/v))	with Tris-HCl
6	1	2	potassium/sodium phosphate	0.45-0.55 (M)