9LPX

X-ray structure of GH1 beta-glucosidase Td2F2 2F-Glc complex at room 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	2023-02-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	69.540, 71.230, 97.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.290 - 1.320
R-factor	0.1571
Rwork	0.157
R-free	0.16770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.897
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]	44.290	1.340
High resolution limit [Å]	1.320	1.320
Rmerge	0.078	0.843
Rpim	0.032	0.351
Number of reflections	110952	5330
<I/σ(I)>	13.5	2.1
Completeness [%]	97.7
Redundancy	6.6
CC(1/2)	0.998	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.9	293	Protein solution: protein 30mg/mL, 5mM Tris pD 8.9 Reservoir solution: 0.1M CHES pD 9.5, 0.890M K/Na tartrate, 5% (w/v) 1-butylpyridinium chloride, 0.2M Li2SO4, in heavy water