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	72.768 - 2.000
Rwork	0.207
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.248
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.768	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.