9HTX

Glycosyltransferase C from the Limosilactobacillus reuteri accessory secretion system. Apo form.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	70.439, 140.491, 145.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.660 - 2.000
R-factor	0.2304
Rwork	0.228
R-free	0.26520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.967
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.660	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.112
Number of reflections	98062	9711
<I/σ(I)>	20.47
Completeness [%]	99.6
Redundancy	20
CC(1/2)	0.997	0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.9	289	To produce cocrystals of the apo-enzyme crystallisation screening were conducted with the purified His6-tag-LrGtfC100-23 at a concentration of 10 mg/mL in 20 mM Tris pH 7.9 200 mM NaCl. Crystals formed in 0.1 M Bis-Tris pH 7.5, 0.2 M potassium thiocyanate, 20% (w/v) polyethylene glycol (PEG) 3350 after 14-days.