1OW2

STRUCTURE AND MECHANISM OF ACTION OF ISOPENTENYLPYROPHOSPHATE-DIMETHYLALLYLPYROPHOSPHATE ISOMERASE: COMPLEX OF C67A MUTANT WITH EIPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	68.948, 71.394, 92.381
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 * - 2.000
R-factor	0.228 *
Rwork	0.228
R-free	0.28200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hzt
RMSD bond length	0.008
RMSD bond angle	0.021
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	6.230	2.090
High resolution limit [Å]	1.970	1.970
Rmerge	0.066	0.128
Total number of observations	97958 *
Number of reflections	32619 *
<I/σ(I)>	6.2	4.7
Completeness [%]	98.2	98.1 *
Redundancy	3	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.5		PEG 2000, MANGANESE CHLORIDE, AMMONIUM SULFATE, pH 5.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG2000	16 (%)
3	1	reservoir	ammonium sulfate	100 (mM)
4	1	reservoir		10 (mM)
5	1	reservoir	Tris/Maleate		pH5.5