1HNU

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

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	1999-11-26
Detector	MARRESEARCH
Wavelength(s)	1.1765, 1.1773, 1.1697, 1.1836
Spacegroup name	P 63 2 2
Unit cell lengths	116.139, 116.139, 123.276
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.150
R-factor	0.215
Rwork	0.215
R-free	0.25700
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	2.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.053	0.474
Number of reflections	27191	2651 *
<I/σ(I)>	16	2.9
Completeness [%]	99.5	99.7
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)