8K2F

Crystal structure of Group 1 oligosaccharide-releasing beta-N-acetylgalactosaminidase NgaCa from Cohnella abietis, apo 1 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)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	48.699, 70.614, 71.604
Unit cell angles	90.00, 100.86, 90.00

Refinement procedure

Resolution	49.880 - 1.750
R-factor	0.17594
Rwork	0.174
R-free	0.21508
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.583
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.880	1.780
High resolution limit [Å]	1.750	1.750
Number of reflections	47285	2505
<I/σ(I)>	10.4
Completeness [%]	98.4
Redundancy	7.2
CC(1/2)	0.993	0.942

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