8K2I

Crystal structure of Group 2 Oligosaccharide/Monosaccharide-releasing beta-N-acetylhexosaminidase NgaAt from Arabidopsis thaliana in complex with GlcNAc-thiazoline

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	2022-10-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	69.284, 133.833, 150.723
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.710 - 2.500
R-factor	0.16084
Rwork	0.157
R-free	0.22989
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.181
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]	48.130	2.580
High resolution limit [Å]	2.500	2.500
Number of reflections	49358	4468
<I/σ(I)>	7.4
Completeness [%]	100.0
Redundancy	13.9
CC(1/2)	0.994	0.684

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M Magnesium chloride hexahydrate, 0.1 M Hepes-Na pH 7.5, 25% w/v Polyethylene glycol 3,350