8ATE

Galacturonic acid oxidase from Citrus sinensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-13
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96546
Spacegroup name	P 32 2 1
Unit cell lengths	101.653, 101.653, 108.746
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	88.030 - 1.920
R-factor	0.20719
Rwork	0.205
R-free	0.24398
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	alpha fold
RMSD bond length	0.010
RMSD bond angle	1.678
Data reduction software	XDS (0.7.2)
Data scaling software	Aimless (0.7.2)
Phasing software	PHASES
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	108.750	1.960
High resolution limit [Å]	1.920	1.920
Rmerge	0.086	2.840
Rmeas	0.089	2.932
Rpim	0.022	0.724
Total number of observations	714593	53533
Number of reflections	45258	3312
<I/σ(I)>	16.9	1.2
Completeness [%]	90.0
Redundancy	15.8	16.2
CC(1/2)	0.999	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M NaI, 20% PEG3350