9J44

Crystal structure of Glucose bound GH1 beta-glucosidase mutant (UnBGl1_H261W)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2021-08-28
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	51.474, 65.870, 137.348
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.390 - 1.780
R-factor	0.17618
Rwork	0.174
R-free	0.20741
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.505
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.870	1.810
High resolution limit [Å]	1.780	1.780
Number of reflections	45575	2183
<I/σ(I)>	8.8	2.7
Completeness [%]	100.0	99
Redundancy	7.09
CC(1/2)	0.987	0.308

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