7CBN

Crystal structure of beta-N-acetylhexosaminidase Am0868 from Akkermansia muciniphila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	55.584, 72.435, 137.727
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.777 - 1.700
R-factor	0.155
Rwork	0.153
R-free	0.18480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q63
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MoRDa
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.090	0.045	0.833
Rmeas	0.094	0.047	0.876
Rpim	0.027	0.013	0.268
Total number of observations	734909
Number of reflections	61817	6526	6092
<I/σ(I)>	9.3
Completeness [%]	99.9	99.9	100
Redundancy	11.9	12.2	10.4
CC(1/2)		0.999	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.24 M sodium malonate pH 7.0 and 20% Polyethylene glycol 3350