8PO9

Polyethylene oxidation hexamerin PEase Cibeles (XP_026756460) from Galleria mellonella

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	273
Detector technology	PIXEL
Collection date	2022-07-05
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.265
Spacegroup name	P 21 21 21
Unit cell lengths	93.750, 196.580, 224.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.260 - 2.200
R-factor	0.1737
Rwork	0.171
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.953
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.300	2.330
High resolution limit [Å]	2.200	2.200
Number of reflections	209645	32642
<I/σ(I)>	7.21	1.32
Completeness [%]	99.9
Redundancy	8.96
CC(1/2)	0.990	0.440

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	35 % MPD, 100 mM Li2SO4, 100 mM MES pH 6