8IXQ

Structure of glycosyltransferase LmbT in complex with GDP and ergothioneine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-16
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	97.634, 139.484, 158.748
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.820 - 2.100
R-factor	0.1843
Rwork	0.184
R-free	0.22050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.896
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.820	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.115	0.712
Number of reflections	126789	6208
<I/σ(I)>	11.8	2.6
Completeness [%]	100.0	100
Redundancy	7.7	8
CC(1/2)	0.998	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.03M citrate acid, 0.07M BIS-tris propane (pH7.6), 28% Polyethylene glycol 3,350