9RGQ

Crystal Structure of Rattus norvegicus Enoyl-CoA Hydratase in unliganded form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.619913
Spacegroup name	H 3
Unit cell lengths	77.397, 77.397, 217.287
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.460 - 2.000
R-factor	0.1998
Rwork	0.198
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.438
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.900	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	32842	26562
<I/σ(I)>	16.3	2
Completeness [%]	100.0
Redundancy	10.8
CC(1/2)	0.990	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	298	0.05M Calcium acetate hydrate; 0.1M Sodium cacodylate, pH 6