9G8A

Carotenoid cleavage oxygenase from Moesziomyces aphidis bound to p-hydroxybenzaldehyde

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.87313
Spacegroup name	P 1 21 1
Unit cell lengths	71.836, 83.808, 98.117
Unit cell angles	90.00, 104.50, 90.00

Refinement procedure

Resolution	69.548 - 2.000
Rwork	0.180
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	2.193
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	69.550	69.550	2.050
High resolution limit [Å]	2.000	9.380	2.000
Rmerge	0.111	0.033	0.452
Rmeas	0.156	0.047	0.633
Rpim	0.110	0.033	0.443
Number of reflections	67761	727	4990
<I/σ(I)>	4.5	13.2	1.5
Completeness [%]	89.1	92.7	97.1
Redundancy	3	2.8	3.1
CC(1/2)	0.989	0.996	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20% w/v Polyethyleneglycol 3,350 200mM Ammonium acetate 30% GOL