6O1I

Alpha-L-fucosidase AlfC fucosyltransferase mutant E274A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920099
Spacegroup name	C 2 2 21
Unit cell lengths	87.753, 139.300, 265.586
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.120 - 3.550
R-factor	0.2471
Rwork	0.246
R-free	0.26140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o18
RMSD bond length	0.002
RMSD bond angle	1.152
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.120	29.120	3.890
High resolution limit [Å]	3.550	8.700	3.550
Rmerge	0.200	0.036	1.993
Rmeas	0.222	0.040	2.200
Rpim	0.094	0.017	0.913
Number of reflections	18262	1256	4383
<I/σ(I)>	8.5
Completeness [%]	91.8	87.9	93.6
Redundancy	4.9	5.1	5
CC(1/2)	0.995	0.998	0.350

Crystallization Conditions

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