8IBR

Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis in complex with glycerol

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	CCD
Collection date	2012-06-20
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 3 2 1
Unit cell lengths	145.642, 145.642, 66.845
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.910 - 1.700
R-factor	0.16235
Rwork	0.161
R-free	0.18567
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.570
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	pointless (1.12.8)
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.670	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.086	0.586
Rpim	0.040	0.511
Number of reflections	85479	2985
<I/σ(I)>	16.3	1.4
Completeness [%]	95.5	63.5
Redundancy	9.2
CC(1/2)	0.998	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.1 M KSCN, 30% PEG MME 2000, 25% glycerol