7WJF

Crystal structure of Lactococcus lactis subsp. cremoris GH31 alpha-1,3-glucosidase mutant D394A in complex with kojibiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2021-06-27
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 63 2 2
Unit cell lengths	151.718, 151.718, 177.681
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.460 - 1.800
Rwork	0.170
R-free	0.19070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wja
RMSD bond length	0.010
RMSD bond angle	1.563
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.090	1.235
Number of reflections	111324	16032
<I/σ(I)>	25	2.8
Completeness [%]	100.0	100
Redundancy	19.7	18.9
CC(1/2)	1.000	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	14% PEG 3350, 400 mM ammonium citrate buffer (pH 7.0), 10 mM kojibiose