8X4K

Crystal structure of the glycosyltransferase domain of Legionella SetA in complex with UPDGlc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9999
Spacegroup name	P 21 21 21
Unit cell lengths	42.140, 63.257, 184.962
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.190 - 1.900
R-factor	0.17667
Rwork	0.175
R-free	0.21058
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.392
Data reduction software	HKL-2000
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.200	5.650	2.010
High resolution limit [Å]	1.900	4.010	1.900
Rmerge	0.063	0.028	1.008
Rmeas	0.073	0.033	1.163
Number of reflections	38012	5100	12094
<I/σ(I)>	12.19
Completeness [%]	99.9
Redundancy	3.97
CC(1/2)	0.999	0.999	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287	6% (v/v) MPD, 14% (w/v) PEG 4,000, and 0.1 M sodium/potassium phosphate at pH 6.2