8YTY

The M12+P185V variant of Kubu-PETase from Kutzneria buriramensis

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	2023-06-24
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	I 2 2 2
Unit cell lengths	64.963, 81.645, 83.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.500 - 1.150
R-factor	0.16077
Rwork	0.160
R-free	0.17795
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.838
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.500	1.200
High resolution limit [Å]	1.150	1.150
Number of reflections	74333	17791
<I/σ(I)>	14.8
Completeness [%]	97.9
Redundancy	14.5
CC(1/2)	0.990	0.200

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	PEG 3350, sodium acetate tribasic pH 4.6, Tacsimate pH 4.0