8J53

Crystal structure of Bacteroides salyersiae GH31 alpha-galactosidase

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	2022-05-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	200.521, 157.535, 131.408
Unit cell angles	90.00, 116.82, 90.00

Refinement procedure

Resolution	48.635 - 3.500
Rwork	0.257
R-free	0.31280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.498
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]	48.635	3.620
High resolution limit [Å]	3.500	3.500
Rmerge	0.168	1.050
Rmeas	0.199	1.238
Rpim	0.106	0.651
Number of reflections	45955	4479
<I/σ(I)>	9.3	2
Completeness [%]	99.9
Redundancy	6.8
CC(1/2)	0.996	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	16% PEG 3350, 40 mM citric acid, 60 mM bis-tris propane