7CTR

Closed form of PET-degrading cutinase Cut190 with thermostability-improving mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2019-05-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9800
Spacegroup name	P 21 21 21
Unit cell lengths	68.128, 81.697, 85.556
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.780 - 1.200
R-factor	0.1805
Rwork	0.179
R-free	0.20680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wfi
RMSD bond length	0.004
RMSD bond angle	0.815
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]	43.000	1.270
High resolution limit [Å]	1.200	1.200
Number of reflections	144266	22418
<I/σ(I)>	7.6	1.2
Completeness [%]	96.6
Redundancy	6.7
CC(1/2)	0.998	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M HEPES, 45% (v/v) 1,4-dioxane