6O18

Unliganded alpha-L-fucosidase AlfC from Lactobacillus casei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03320
Spacegroup name	C 2 2 21
Unit cell lengths	89.298, 137.119, 264.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.110 - 2.550
R-factor	0.2096
Rwork	0.208
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pct
RMSD bond length	0.007
RMSD bond angle	1.382
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.410	29.410	2.630
High resolution limit [Å]	2.550	10.510	2.550
Rmerge	0.063	0.037	1.256
Rmeas	0.069	0.040	1.387
Rpim	0.029	0.017	0.580
Total number of observations	291121
Number of reflections	53160	805	4566
<I/σ(I)>	12.7
Completeness [%]	99.7	95	100
Redundancy	5.5	5.1	5.5
CC(1/2)	0.999	0.998	0.557

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	250 nL 20 mg/ml wild-type AlfC + 250 nL mother liquor (18% w/v PEG3350, 0.1 M Bis-Tris propane, pH 7, 20 mM sodium/potassion phosphate, 1% v/v glycerol), crystals appeared after five days