7VI6

Crystal structure of GH3 beta-N-acetylhexosaminidase Amuc_2109 from Akkermansia muciniphila

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	2020-06-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	78.926, 81.105, 126.991
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.460 - 2.000
R-factor	0.1855
Rwork	0.183
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zm6
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MoRDa
Refinement software	PHENIX (1.18.2_3874)

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	0.123	0.078	0.881
Rmeas	0.136	0.087	0.959
Rpim	0.056	0.038	0.375
Total number of observations	353083
Number of reflections	55774	5861	5506
<I/σ(I)>	6.3
Completeness [%]	99.8	99.4	100
Redundancy	6.3	5.5	6.7
CC(1/2)		0.993	0.870

Crystallization Conditions

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