8P1S

Bifidobacterium asteroides alpha-L-fucosidase (TT1819) in complex with fucose.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-05
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	89.058, 142.765, 167.202
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.741 - 1.900
Rwork	0.169
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.924
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	108.560	108.560	1.930
High resolution limit [Å]	1.900	10.410	1.900
Rmerge	0.246	0.051	9.946
Rmeas	0.262	0.054	10.726
Rpim	0.086	0.018	3.866
Number of reflections	167861	167861	8235
<I/σ(I)>	9.2
Completeness [%]	100.0
Redundancy	17.5	15.5	14.9
CC(1/2)	0.998	0.999	0.215

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.12M Diethylene glycol; 0.12M Triethylene glycol; 0.12M Tetraethylene glycol; 0.12M Pentaethylene glycol, 0.1M Tris (base); BICINE pH 8.5, 10% v/v MPD; 10% PEG 1000; 10% w/v PEG 3350