7CEF

Crystal structure of PET-degrading cutinase Cut190 /S226P/R228S/ mutant with the C-terminal three residues deletion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2019-06-18
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1000
Spacegroup name	P 1 21 1
Unit cell lengths	60.512, 49.100, 82.948
Unit cell angles	90.00, 107.45, 90.00

Refinement procedure

Resolution	41.720 - 1.600
R-factor	0.1789
Rwork	0.177
R-free	0.21990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wfi 4wfj
RMSD bond length	0.008
RMSD bond angle	0.928
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.700
High resolution limit [Å]	1.600	1.600
Rmerge		0.684
Number of reflections	60359	9640
<I/σ(I)>	9.3	1.6
Completeness [%]	97.8	97.1
Redundancy	3.3	3.1
CC(1/2)	0.995	0.742

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2M zinc acetate, 0.1M sodium cacodylate, 18% PEG 8000