8YTW

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 41 3 2
Unit cell lengths	158.790, 158.790, 158.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.880 - 2.650
R-factor	0.22007
Rwork	0.217
R-free	0.28332
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.456
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]	45.880	2.720
High resolution limit [Å]	2.650	2.650
Number of reflections	9707	9707
<I/σ(I)>	26.1
Completeness [%]	99.9
Redundancy	14.9
CC(1/2)	0.970	0.200

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	293	PEG 300, imidazole, zinc acetate