1DR8

STRUCTURE OF MODIFIED 3-ISOPROPYLMALATE DEHYDROGENASE AT THE C-TERMINUS, HD177

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Temperature [K]	100
Detector technology	DIFFRACTOMETER
Collection date	1999-10-21
Detector	WEISSENBERG
Spacegroup name	P 1 21 1
Unit cell lengths	69.890, 85.980, 54.370
Unit cell angles	90.00, 100.30, 90.00

Refinement procedure

Resolution	6.500 - 2.700
R-factor	0.201 *
Rwork	0.205
R-free	0.30200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ipmdh a172l (pdb 1osj)
RMSD bond length	0.007
RMSD bond angle	29.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR ((ONLINE) 98.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.500	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.051	0.203
Number of reflections	14939	685 *
<I/σ(I)>	17.5
Completeness [%]	86.7	79
Redundancy	15198	685

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	25 *	PEG400, 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))