1EY3

STRUCTURE OF ENOYL-COA HYDRATASE COMPLEXED WITH THE SUBSTRATE DAC-COA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	275
Detector technology	IMAGE PLATE
Collection date	1996-08-21
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 21 21
Unit cell lengths	141.748, 145.286, 78.562
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 2.300
R-factor	0.18 *
Rwork	0.181
R-free	0.22000
Starting model (for MR)	1dub
RMSD bond length	0.007
RMSD bond angle	23.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.062	0.413
Number of reflections	65075
<I/σ(I)>	11.9
Completeness [%]	95.0 *	77.1
Redundancy	4.9	1.64

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	25 *	8% PEG 4000, 100 mM sodium acetate, 75 mM sodium phosphate, 100 mM NaCl, 3 mM sodium azide, 3.5 mM DAC-CoA, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	8 (%)
2	1	reservoir		0.1 (M)
3	1	reservoir	sodium phosphate	75 (mM)	pH7.3
4	1	drop	protein	3.5 (mM)
5	1	drop	sodium phosphate	75 (mM)
6	1	drop		100 (mM)
7	1	drop	sodium azide	3 (mM)	pH7.3