9J43

Crystal Structure of Glucose tolerant GH1 beta-glucosidase mutant (UnBGl1_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	2022-06-14
Detector	RAYONIX MX225HE
Wavelength(s)	0.97777
Spacegroup name	P 21 21 21
Unit cell lengths	51.660, 66.140, 137.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.030 - 1.800
R-factor	0.1411
Rwork	0.140
R-free	0.16786
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.580
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge		0.944
Number of reflections	44406	12565
<I/σ(I)>	6.84
Completeness [%]	99.7
Redundancy	3.85
CC(1/2)	0.981	0.981

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