9J49

High resolution crystal strucutre of highly glucose tolerant GH1 beta-glucosidase (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)	0.97777
Spacegroup name	P 21 21 21
Unit cell lengths	51.750, 66.380, 137.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.890 - 1.550
R-factor	0.14
Rwork	0.139
R-free	0.16302
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.679
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.650
High resolution limit [Å]	1.550	1.550
Rmerge	0.100	0.827
Number of reflections	69348	11661
<I/σ(I)>	14.42	2.45
Completeness [%]	99.7
Redundancy	743	6.17
CC(1/2)	0.998	0.767

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