8K2M

Crystal structure of Group 4 Monosaccharide-releasing beta-N-acetylgalactosaminidase NgaP2 from Paenibacillus sp. TS12 in complex with GalNAc-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	2020-11-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	119.975, 61.608, 100.453
Unit cell angles	90.00, 121.43, 90.00

Refinement procedure

Resolution	47.150 - 1.650
R-factor	0.1698
Rwork	0.168
R-free	0.19450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.696
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]	47.150	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	74805	3646
<I/σ(I)>	8.8
Completeness [%]	99.3
Redundancy	6.9
CC(1/2)	0.987	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M sodium Bromide, 0.1 M Bis-Tris pH 7.5, 25% w/v Polyethylene glycol 3,350