5MDH

CRYSTAL STRUCTURE OF TERNARY COMPLEX OF PORCINE CYTOPLASMIC MALATE DEHYDROGENASE ALPHA-KETOMALONATE AND TNAD AT 2.4 ANGSTROMS RESOLUTION

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-08
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	85.700, 144.432, 59.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.400
R-factor	0.199 *
Rwork	0.199
R-free	0.25378 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mdh
RMSD bond length	0.010
RMSD bond angle	0.034
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.510
High resolution limit [Å]	2.400	2.400
Rmerge	0.093	0.320
Number of reflections	26268
<I/σ(I)>	12.34	3.72
Completeness [%]	89.3	91.6
Redundancy	3.96	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6		pH 5.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium acetate	0.15 (mM)
2	1	reservoir	PEG4000	16 (%(v/v))