8J9F

Structure of STG-hydrolyzing beta-glucosidase 1 (PSTG1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-06-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	65.300, 113.250, 158.660
Unit cell angles	71.47, 82.68, 79.83

Refinement procedure

Resolution	47.600 - 2.850
Rwork	0.232
R-free	0.28170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.648
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.020
High resolution limit [Å]	2.850	2.850
Rmeas	0.619	1.661
Number of reflections	832650	131530
<I/σ(I)>	3.65	1.33
Completeness [%]	99.6	99.8
Redundancy	8.46	8.25
CC(1/2)	0.879	0.515

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	PEG 3000, imidazole, lithium sulfate