9J4Q

Crystal structure of glucose bound covalent intermediate of GH1 beta-glucosidase (UnBGl1)

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	2019-11-23
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	51.200, 65.800, 137.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.690 - 2.000
R-factor	0.18792
Rwork	0.186
R-free	0.23157
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.549
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

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	31988	8080
<I/σ(I)>	6.95	2.04
Completeness [%]	98.8	97.6
Redundancy	3.7
CC(1/2)	0.907	0.562

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