1EMD

CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF ESCHERICHIA COLI MALATE DEHYDROGENASE, CITRATE AND NAD AT 1.9 ANGSTROMS RESOLUTION

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	116.800, 43.050, 83.740
Unit cell angles	90.00, 130.10, 90.00

Refinement procedure

Resolution	8.000 * - 1.900
R-factor	0.195
Rwork	0.195
RMSD bond length	0.012
RMSD bond angle	1.651 *
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	1.930 *
Rmerge	0.032 *
Total number of observations	47867 *
Number of reflections	18364 *
Completeness [%]	76.0 *
Redundancy	2.6 *	2.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.7 *		referred to J.Mol.Biol. 220,551-553 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5.6 (mg/ml)
10	1	reservoir		0.05 (%)
11	1	reservoir	PEG8000	15-18 (%)
2	1	drop	PEG8000	14-16 (%(w/v))
3	1	drop	sodium citrate	10 (mM)
4	1	drop	EDTA	1 (mM)
5	1	drop	DTT	2 (mM)
6	1	drop		0.05 (%)
7	1	reservoir	sodium citrate	10 (mM)
8	1	reservoir	EDTA	1 (mM)
9	1	reservoir	DTT	2 (mM)