9G88

Carotenoid cleavage oxygenase from Moesziomyces aphidis bound to acetate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03322
Spacegroup name	P 1 21 1
Unit cell lengths	72.155, 85.957, 93.870
Unit cell angles	90.00, 100.34, 90.00

Refinement procedure

Resolution	46.170 - 1.400
Rwork	0.168
R-free	0.19290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.966
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.170	46.170	1.420
High resolution limit [Å]	1.400	7.670	1.400
Rmerge	0.054	0.031	1.005
Rmeas	0.073	0.043	1.325
Rpim	0.048	0.029	0.851
Number of reflections	216121	1422	8729
<I/σ(I)>	9.5
Completeness [%]	97.7
Redundancy	3.8	3.9	3.1
CC(1/2)	0.998	0.988	0.432

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20%w/vPolyethyleneglycol 3,350 200mM Lithiumacetate 30% GOL