5H47

Crystal structure of AOL complexed with 2-MeSe-Fuc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9790
Spacegroup name	P 1 21 1
Unit cell lengths	105.972, 214.316, 126.531
Unit cell angles	90.00, 108.24, 90.00

Refinement procedure

Resolution	39.990 - 2.300
R-factor	0.21801
Rwork	0.216
R-free	0.25838
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.050	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.213	1.837
Number of reflections	270453
<I/σ(I)>	8.9	1
Completeness [%]	100.0	100
Redundancy	7	7.2
CC(1/2)	0.995	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	Tryptone, HEPES, PEG 3350