9KMF

The Crystal Structure of dsPETase01 from Biortus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.99999
Spacegroup name	P 21 21 21
Unit cell lengths	43.670, 71.748, 168.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.291 - 1.400
Rwork	0.129
R-free	0.14800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.897
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]	44.291	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.102	0.610
Number of reflections	105378	5022
<I/σ(I)>	24.9
Completeness [%]	99.9
Redundancy	13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Tris-HCl pH8.5, 20% PEG6,000