7BBS

Structure of Bg10: an alcohol-tolerant and glucose-stimulated B-glucosidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-13
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97950
Spacegroup name	C 1 2 1
Unit cell lengths	92.432, 138.485, 114.841
Unit cell angles	90.00, 102.47, 90.00

Refinement procedure

Resolution	112.130 - 2.300
R-factor	0.2301
Rwork	0.228
R-free	0.26950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gnx
RMSD bond length	0.002
RMSD bond angle	0.525
Data reduction software	XDS (Mar 15, 2019)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	112.130	2.604
High resolution limit [Å]	2.300	2.300
Rmerge	0.193	0.643
Rmeas	0.230	0.809
Rpim	0.124	0.486
Number of reflections	33702	1686
<I/σ(I)>	5.6	1.5
Completeness [%]	54.4	8.9
Redundancy	3.4
CC(1/2)	0.982	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	12% (v/v) PEG 3550, 250 mM potassium citrate, 4% (v/v) 1,5-pentanediol