8WN6

Crystal structure of GH1 beta-glucosidase Td2F2 E352Q sophorose complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	67.542, 68.978, 96.389
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.310 - 1.640
R-factor	0.16621
Rwork	0.165
R-free	0.19259
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.753
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.310	1.670
High resolution limit [Å]	1.640	1.640
Rmerge	0.021	0.039
Rmeas	0.030	0.056
Rpim	0.021	0.039
Number of reflections	55824	2703
<I/σ(I)>	22	11.1
Completeness [%]	99.9	99
Redundancy	1.9	1.9
CC(1/2)	0.998	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	303	CHES, K/Na tartrate, LiSO4