8IBT

Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis E318S mutant in complex with lacto-N-tetraose

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	2014-01-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 3 2 1
Unit cell lengths	166.432, 166.432, 149.459
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.040 - 2.200
R-factor	0.14773
Rwork	0.146
R-free	0.17493
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.835
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless (0.7.9)
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.040	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.125	0.916
Rpim	0.074	0.362
Number of reflections	121062	5977
<I/σ(I)>	12.8	2.5
Completeness [%]	100.0	99.9
Redundancy	7.5
CC(1/2)	0.996	0.633

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	293.15	5 mM MES-NaOH buffer (pH 5.8), 0.1 M KSCN, 30% PEG MME 2000, 20% ethylene glycol, 50 mM lacto-N-tetraose