9J4A

Crystal structure of glucose bound highly glucose tolerant GH1 beta-glcosidase mutant (UnBGl1_C188V_H261W)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2023-02-16
Detector	RAYONIX MX225HE
Wavelength(s)	0.9777
Spacegroup name	P 21 21 21
Unit cell lengths	52.000, 68.100, 136.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.490 - 2.000
R-factor	0.16449
Rwork	0.162
R-free	0.21704
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.078
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.100
High resolution limit [Å]	2.000	2.000
Number of reflections	33409	4463
<I/σ(I)>	7.44	2.3
Completeness [%]	99.9	100
Redundancy	7.1	7.2
CC(1/2)	0.990	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	295	0.056M Sodium phosphate monobasic monohydrate, 1.344M Potassium phosphate dibasic, pH 8.2