6L3P

Crystal strcuture of Feruloyl-CoA hydratase lyase(FCHL) complexed with CoA

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	2019-05-17
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	H 3 2
Unit cell lengths	136.781, 136.781, 242.723
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.520 - 2.500
R-factor	0.2382
Rwork	0.236
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j5i
RMSD bond length	0.010
RMSD bond angle	1.579
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.560
High resolution limit [Å]	2.500	2.500
Rmeas	0.084
Rpim	0.022
Number of reflections	29931	2038
<I/σ(I)>	38.3
Completeness [%]	98.5
Redundancy	11.2
CC(1/2)	0.995	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	293	25% propanediol, PEG3000, Glycerol