9J42

Crystal structure of Glucsoe bound glucose tolerant GH1 beta-glucosidase mutant (UnBGl1_C188V)

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	2016-08-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	52.110, 66.980, 138.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.040 - 1.750
R-factor	0.15566
Rwork	0.154
R-free	0.19115
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.602
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]	40.000	1.850
High resolution limit [Å]	1.750	1.750
Rmerge	0.071	0.287
Number of reflections	48288	7023
<I/σ(I)>	19.31	6.64
Completeness [%]	96.9	93
Redundancy	7.03	6.87
CC(1/2)	0.998	0.953

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