1Q54

STRUCTURE AND MECHANISM OF ACTION OF ISOPENTENYLPYROPHOSPHATE-DIMETHYLALLYLPYROPHOSPHATE ISOMERASE: COMPLEX WITH THE BROMOHYDRINE OF IPP

Replaces:  1N2U

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-10-01
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	68.830, 71.350, 91.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.930
R-factor	0.21
Rwork	0.210
R-free	0.25740 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hzt
RMSD bond length	0.050
RMSD bond angle	0.049
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.040
High resolution limit [Å]	1.930	1.930
Rmerge	0.052	0.128
Number of reflections	26583
<I/σ(I)>	6.2	4.7
Completeness [%]	95.1	95
Redundancy	2.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.5	297	MnCl2, PEG2000, Ammonium Sulfate, pH 5.50, VAPOR DIFFUSION, HANGING DROP, temperature 297K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	reservoir	PEG2000	16 (%)
3	1	reservoir	ammonium sulfate	100 (mM)
4	1	reservoir		10 (mM)	pH5.5