9K0H

The Crystal Structure of dsPETase05 from Biortus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979191
Spacegroup name	P 1 21 1
Unit cell lengths	41.066, 67.273, 85.446
Unit cell angles	90.00, 96.53, 90.00

Refinement procedure

Resolution	35.924 - 1.948
Rwork	0.148
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.539
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.930	2.000
High resolution limit [Å]	1.948	1.948
Number of reflections	33866	2337
<I/σ(I)>	6.5
Completeness [%]	99.9
Redundancy	3.9
CC(1/2)	0.979	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M HEPES pH7.5, 25% PEG3,350