1IE3

CRYSTAL STRUCTURE OF R153C E. COLI MALATE DEHYDROGENASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	297
Detector technology	IMAGE PLATE
Collection date	1999-09-15
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	147.410, 52.850, 169.910
Unit cell angles	90.00, 101.76, 90.00

Refinement procedure

Resolution	39.700 - 2.500
R-factor	0.186
Rwork	0.186
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.115	0.361
Total number of observations	95846 *
Number of reflections	66535
<I/σ(I)>	8.5
Completeness [%]	87.5 *	90 *
Redundancy	1.4	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	24 *	used microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium cacodylate	0.1 (M)
2	1	reservoir	PEG4000	20 (%)
3	1	reservoir	ammonium acetate	0.1 (M)