7PZJ

Structure of a bacteroidetal polyethylene terephthalate (PET) esterase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	109.755, 109.755, 41.803
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.080 - 2.100
R-factor	0.1634
Rwork	0.161
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	own model
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.800	2.175
High resolution limit [Å]	2.100	2.100
Number of reflections	15447	1505
<I/σ(I)>	13.95	5.38
Completeness [%]	100.0
Redundancy	17.3
CC(1/2)	0.997	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		285	0.1 M sodium aetate pH 4.6 and 25% (w/v) PEG 4000