7ZO0

Crystal structure of catalytic inactive unliganded form of FucOB, a GH95 family alpha-1,2-fucosidase from Akkermansia muciniphila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 1 21 1
Unit cell lengths	53.582, 87.507, 95.586
Unit cell angles	90.00, 102.86, 90.00

Refinement procedure

Resolution	52.240 - 1.950
R-factor	0.2041
Rwork	0.204
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7znz
RMSD bond length	0.004
RMSD bond angle	0.622
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20_4459: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.240	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.130	1.223
Rmeas	0.141	1.323
Rpim	0.054	0.498
Number of reflections	423928	43184
<I/σ(I)>	12.84	1.91
Completeness [%]	99.8	99.77
Redundancy	6.8	7
CC(1/2)	0.998	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	200mM sodium chloride, 20% (w/v) PEG 3350 (PEG ION suite protein crystallization screening, Hampton Research)