9M3E

Carotenoid Cleavage Dioxygenase 1 variant from Osmanthus fragrans A191G E408Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	98.15
Detector technology	PIXEL
Collection date	2021-11-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95365
Spacegroup name	P 41 3 2
Unit cell lengths	209.802, 209.802, 209.802
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.450 - 2.500
R-factor	0.1841
Rwork	0.183
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.985
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.450	2.570
High resolution limit [Å]	2.500	2.500
Number of reflections	54893	4413
<I/σ(I)>	13.4	1.3
Completeness [%]	100.0
Redundancy	82.5
CC(1/2)	0.998	0.446

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	Tris pH 7.5, (NH4)2SO4