6L3O

Crystal strcuture of Feruloyl-CoA hydratase lyase(FCHL) from Pseudomonas putida KT2440

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	2019-04-05
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	H 3
Unit cell lengths	87.745, 87.745, 198.223
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.170 - 1.650
R-factor	0.1763
Rwork	0.175
R-free	0.20560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j5i
RMSD bond length	0.012
RMSD bond angle	1.777
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.650	4.480	1.650
Rmerge	0.052	0.044	0.287
Rmeas	0.058	0.050	0.330
Rpim	0.027	0.024	0.161
Total number of observations	297935
Number of reflections	68160	3359	3397
<I/σ(I)>	12.1
Completeness [%]	99.7	98	98.4
Redundancy	4.4	4.4	3.8
CC(1/2)		0.995	0.946

Crystallization Conditions

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