1DR0

STRUCTURE OF MODIFIED 3-ISOPROPYLMALATE DEHYDROGENASE AT THE C-TERMINUS, HD708

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-06-23
Detector	RIGAKU RAXIS IV
Spacegroup name	P 1 21 1
Unit cell lengths	55.620, 84.310, 72.280
Unit cell angles	90.00, 103.00, 90.00

Refinement procedure

Resolution	8.000 * - 2.200
R-factor	0.249
Rwork	0.249
R-free	0.30800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IPMDH A171L (PDB 1OSJ)
RMSD bond length	0.010
RMSD bond angle	28.900 *
Phasing software	X-PLOR
Refinement software	X-PLOR ((ONLINE) 98.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.200
High resolution limit [Å]	1.800	1.780 *
Rmerge	0.047	0.200 *
Number of reflections	39276	332 *
Completeness [%]	64.5	64.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	25 *	PEG 400, sodium acetate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-7.5 (mg/ml)
2	1	drop	sodium acetate	0.05 (M)
3	1	drop	PEG400	20 (%(v/v))
4	1	reservoir	sodium acetate	0.1 (M)
5	1	reservoir	PEG400	40 (%(v/v))