7CBO

Crystal structure of beta-N-acetylhexosaminidase Am0868 from Akkermansia muciniphila in complex with GlcNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	55.231, 72.132, 138.228
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.080 - 1.500
R-factor	0.1424
Rwork	0.141
R-free	0.17280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cbn
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.145	0.065	0.986
Rmeas	0.152	0.067	1.028
Rpim	0.043	0.019	0.286
Number of reflections	86352	9299	8191
<I/σ(I)>	3.5
Completeness [%]	96.8	99.3	93.4
Redundancy	12.3	12.4	12.5
CC(1/2)		0.998	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	289	0.1 M AmSO4, 0.1 M MES pH 6.0, 20% PEG 3350