8QC8

Crystal structure of NAD-dependent glycoside hydrolase from Flavobacterium sp. (strain K172) in complex with co-factor NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-06
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	107.775, 161.490, 175.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.450 - 2.350
R-factor	0.23112
Rwork	0.229
R-free	0.27837
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.303
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.450	2.410
High resolution limit [Å]	2.350	2.350
Rmerge	0.192	1.779
Rmeas	0.200	1.874
Rpim	0.055	0.573
Total number of observations	830971	44513
Number of reflections	63829	4352
<I/σ(I)>	8	1
Completeness [%]	99.7
Redundancy	13	10.2
CC(1/2)	0.998	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	100 mM bis-tris propane pH 7, 0.02 mM sodium and potassium phosphate, 28% (w/v) PEG3350, 1 mM MnCl2, 5 mM NAD+