1HNO

CRYSTAL STRUCTURE OF PEROXISOMAL DELTA3-DELTA2-ENOYL-COA ISOMERASE FROM SACCHAROMYCES CEREVISIAE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-06-28
Detector	MARRESEARCH
Wavelength(s)	0.909
Spacegroup name	P 63 2 2
Unit cell lengths	116.010, 116.010, 122.929
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.201
Rwork	0.201
R-free	0.25100
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	enoyl-CoA isomerase liganded with perrhenate
RMSD bond length	0.016
RMSD bond angle	2.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.066	0.349
Number of reflections	17313	1669 *
<I/σ(I)>	12.2	4.9
Completeness [%]	98.9	98.8
Redundancy	4.8	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.6	295	MES, ammonium sulfate, 1,4-dioxane, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	MES	0.1 (M)
2	1	1	1,4-dioxane	5 (%(w/v))
3	1	1	ammonium sulfate	1.4 (M)