8K2G

Crystal structure of Group 1 Oligosaccharide-releasing beta-N-acetylgalactosaminidase NgaCa from Cohnella abietis, apo 2 form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	53.214, 69.679, 71.113
Unit cell angles	88.41, 74.33, 87.93

Refinement procedure

Resolution	47.670 - 1.750
R-factor	0.15755
Rwork	0.156
R-free	0.19253
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.660
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.360	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.093
Number of reflections	96240	4648
<I/σ(I)>	7.1
Completeness [%]	97.1
Redundancy	3.5
CC(1/2)	0.963	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M Magnesium chloride hexahydrate, 0.1 M Bis-Tris pH 6.5, 25% w/v Polyethylene glycol 3,350