8J51

Crystal structure of Flavihumibacter petaseus GH31 alpha-galactosidase in complex with galactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	71.357, 72.371, 80.884
Unit cell angles	101.82, 105.11, 103.67

Refinement procedure

Resolution	43.695 - 2.150
Rwork	0.152
R-free	0.22240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.439
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.010	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.097	0.487
Rmeas	0.138	0.689
Rpim		0.487
Number of reflections	77597	4574
<I/σ(I)>	9.9	2.1
Completeness [%]	98.0	97.1
Redundancy	3.5	3.5
CC(1/2)	0.993	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	1 M sodium chloride, 50 mM MES-NaOH, pH 6.0