9LPY

X-ray structure of GH1 beta-glucosidase Td2F2 2F-Glc complex at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-12-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	68.732, 69.788, 95.986
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.970 - 1.110
R-factor	0.1645
Rwork	0.164
R-free	0.17600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.883
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless (0.7.7)
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.970	1.130
High resolution limit [Å]	1.110	1.110
Rmerge	0.160	1.295
Rpim	0.046	0.392
Number of reflections	182060	8940
<I/σ(I)>	2.1	2.1
Completeness [%]	100.0	100
Redundancy	12.8	11.7
CC(1/2)	0.999	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.9	293	Protein solution: protein reacted 2-deoxy-2-fluoro glucoside 20mg/mL, 5mM Tris pD 8.9 Reservoir solution: 0.1M CHES pD 9.5, 0.935M K/Na tartrate, 5% (w/v) 1-butylpyridinium chloride, 0.2M Li2SO4, in heavy water