8QVE

C-glucosyl oxidoreductase (DaCGO1) from Deinococcus aerius

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.91788
Spacegroup name	C 2 2 21
Unit cell lengths	84.980, 123.710, 99.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.590 - 1.700
R-factor	0.1902
Rwork	0.189
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.921
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.590	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.153	1.540
Number of reflections	57611	8961
<I/σ(I)>	13.2	1.8
Completeness [%]	99.9
Redundancy	13.6	13.3
CC(1/2)	0.999	0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1 M CdCl2, 0.1 M sodium acetate pH 4.6, 30% v/v PEG400