1PPW

ISOPENTENYLPYROPHOSPHATE-DIMETHYLALLYLPYROPHOSPHATE ISOMERASE IN COMPLEX WITH THE BROMOHYDRINE OF IPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-05-01
Detector	MARRESEARCH
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	69.090, 71.880, 91.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.210
R-factor	0.2023
Rwork	0.176
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hzt
RMSD bond length	0.004
RMSD bond angle	0.019
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.290
High resolution limit [Å]	2.210	2.210
Rmerge	0.088	0.298
Number of reflections	21099
Completeness [%]	98.4	95.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	297	PEG 2000, MANGANESE CHLORIDE, pH 5.50, VAPOR DIFFUSION, HANGING DROP, temperature 297K