1A05

CRYSTAL STRUCTURE OF THE COMPLEX OF 3-ISOPROPYLMALATE DEHYDROGENASE FROM THIOBACILLUS FERROOXIDANS WITH 3-ISOPROPYLMALATE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU FR-C
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-02
Detector	RIGAKU
Spacegroup name	P 21 21 2
Unit cell lengths	56.540, 114.240, 130.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.1977
Rwork	0.198
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ipd
RMSD bond length	0.006
RMSD bond angle	23.700 *
Data reduction software	PROCESS
Data scaling software	PROCESS
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.250
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.142
Number of reflections	44212
<I/σ(I)>	11	3.5
Completeness [%]	92.0	86
Redundancy	3.7	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	16 *	pH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	PEG6000	10-20 (%)
3	1	reservoir	MES	0.1 (M)
4	1	reservoir	IPM	20 (mM)
5	1	reservoir		100 (mM)