7VI7

Crystal structure of GH3 beta-N-acetylhexosaminidase Amuc_2109 from Akkermansia muciniphila in complex with GlcNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	79.243, 81.407, 125.836
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.792 - 2.000
R-factor	0.1816
Rwork	0.180
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vi6
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	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.124	0.064	1.441
Rmeas	0.130	0.068	1.516
Rpim	0.041	0.022	0.466
Total number of observations	550049
Number of reflections	55640	5847	5487
<I/σ(I)>	4.7
Completeness [%]	99.7	99.2	100
Redundancy	9.9	9.3	10.2
CC(1/2)		0.997	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	2M NaCl, 0.1M HEPES pH 7.5