8WN5

Crystal structure of GH1 beta-glucosidase Td2F2 E352Q glucose 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	2023-07-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	67.608, 69.240, 96.683
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.420 - 1.500
R-factor	0.17138
Rwork	0.171
R-free	0.18541
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.843
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]	48.420	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.025	0.068
Rmeas	0.035	0.096
Rpim	0.025	0.068
Number of reflections	73302	3592
<I/σ(I)>	24.3	9.6
Completeness [%]	100.0	100
Redundancy	1.9	1.9
CC(1/2)	0.998	0.977

Crystallization Conditions

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