1GC8

THE CRYSTAL STRUCTURE OF THERMUS THERMOPHILUS 3-ISOPROPYLMALATE DEHYDROGENASE MUTATED AT 172TH FROM ALA TO PHE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1999-10-13
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1 21 1
Unit cell lengths	55.255, 87.830, 71.186
Unit cell angles	90.00, 100.02, 90.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.17
Rwork	0.170
R-free	0.25800
RMSD bond length	0.007
RMSD bond angle	1.334 *
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.750
High resolution limit [Å]	2.500	2.500
Rmerge	0.056	0.184
Number of reflections	20952
Completeness [%]	92.8 *
Redundancy	3.15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	298	Sakurai, M., (1992) J.Biochem., 112, 173. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	potassium phosphate	20 (mM)	pH7.6
3	1	reservoir	ammonium sulfate	1.0-2.0 (M)