9M6Z

Carotenoid Cleavage Dioxygenase 1 variant from Osmanthus fragrans A191M 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	210.247, 210.247, 210.247
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.560 - 2.650
R-factor	0.19
Rwork	0.189
R-free	0.21180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.004
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.605	2.740
High resolution limit [Å]	2.650	2.650
Number of reflections	46544	4494
<I/σ(I)>	11.9
Completeness [%]	100.0
Redundancy	81.5
CC(1/2)	0.998	0.373

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.1M Tris pH 7.5, 1.5M (NH4)2SO4