6LVO

Enoyl-CoA isomerase (BoECI) from Bosea sp. PAMC 26642

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	200
Detector technology	CCD
Collection date	2019-04-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	I 2 3
Unit cell lengths	114.486, 114.486, 114.486
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.740 - 2.360
R-factor	0.2154
Rwork	0.212
R-free	0.27690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fdu
RMSD bond length	0.009
RMSD bond angle	0.941
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL-2000
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.390
High resolution limit [Å]	2.350	2.350
Number of reflections	10379	521
<I/σ(I)>	69.8
Completeness [%]	99.9
Redundancy	33.3
CC(1/2)	1.000	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	0.2M zinc acetate, 0.1M imidazole (pH 8.0), 20% (v/v) 1,4-butanediol