1HX3

CRYSTAL STRUCTURE OF E.COLI ISOPENTENYL DIPHOSPHATE:DIMETHYLALLYL DIPHOSPHATE ISOMERASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	2000-07-13
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	69.303, 72.621, 92.461
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
Rwork	0.215
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.210
High resolution limit [Å]	2.100	2.100
Number of reflections	26206
Completeness [%]	94.5	92.9
Redundancy	4.6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	7.5 *	293	10-15% PEG2000 monomethylether, 10mM MnCl2, 100mM Tris-maleate buffer, 100mM ammonium sulfate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	Tris-HCl	50 (mM)
2	1	1	EDTA	0.2 (mM)
3	1	1	beta-mercaptoethanol	3 (mM)