6IUN

Crystal structure of enoyl-CoA hydratase (ECH) from Ralstonia eutropha H16 in complex with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-24
Detector	ADSC QUANTUM 270
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	89.471, 102.169, 96.672
Unit cell angles	90.00, 106.63, 90.00

Refinement procedure

Resolution	92.630 - 2.380
R-factor	0.1901
Rwork	0.188
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ium
RMSD bond length	0.015
RMSD bond angle	1.848
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.640	2.440
High resolution limit [Å]	2.380	2.380
Number of reflections	66134	3181
<I/σ(I)>	36.91
Completeness [%]	97.8
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% (w/v) PEG 3350, 200 mM Sodium chloride