1DPZ

STRUCTURE OF MODIFIED 3-ISOPROPYLMALATE DEHYDROGENASE AT THE C-TERMINUS, HD711

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	293
Detector technology	DIFFRACTOMETER
Collection date	1998-05-24
Detector	WEISSENBERG
Spacegroup name	P 1 21 1
Unit cell lengths	55.430, 87.570, 70.890
Unit cell angles	90.00, 100.50, 90.00

Refinement procedure

Resolution	6.800 - 2.800
R-factor	0.17 *
Rwork	0.177
R-free	0.26000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IPMDH A172L (PDB 1OSJ)
RMSD bond length	0.007
RMSD bond angle	29.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (98.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.100	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.071	0.340
Number of reflections	19524	616 *
<I/σ(I)>	15.3
Completeness [%]	57.6	57.6 *
Redundancy		616

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	sodium acetate	0.05 (M)
2	1	drop	PEG400	10 (%(v/v))
3	1	drop	protein	5-7.5 (mg/ml)
4	1	reservoir	sodium acetate	0.1 (M)
5	1	reservoir	PEG400	20 (%(v/v))