6T2B

Glycoside hydrolase family 109 from Akkermansia muciniphila in complex with GalNAc and NAD+.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.3799
Spacegroup name	P 1 21 1
Unit cell lengths	66.110, 182.640, 70.870
Unit cell angles	90.00, 90.14, 90.00

Refinement procedure

Resolution	70.870 - 2.130
R-factor	0.1588
Rwork	0.158
R-free	0.19380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ixa
RMSD bond length	0.004
RMSD bond angle	0.740
Data reduction software	XDS (Mar 15, 2019 (BUILT 20190315))
Data scaling software	XSCALE (Mar 15, 2019 (BUILT 20190315))
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.870	2.201
High resolution limit [Å]	2.130	2.130
Number of reflections	92335	7967
<I/σ(I)>	11.61
Completeness [%]	93.6
Redundancy	7.1
CC(1/2)	0.998	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	292	15% PEG 2000 MME 0.1 mM sodium citrate