24IS

alpha-1,2-glucosidase from Arthrobacter humicola A8F5, glucose complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-20
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	104.458, 107.090, 110.403
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.070 - 1.900
R-factor	0.21757
Rwork	0.215
R-free	0.26311
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.010
RMSD bond angle	1.940
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.070	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.102	1.136
Rmeas	0.111	1.237
Number of reflections	98048	4791
<I/σ(I)>	7.9	1.7
Completeness [%]	100.0	100
Redundancy	6.6	6.4
CC(1/2)	0.998	0.621

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	293	0.1 M sodium acetate pH5.1 , 34%(v/v)1,2-propanediol