8DQD

Structure of the Campylobacter concisus glycosyltransferase PglA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-E
Synchrotron site	APS
Beamline	21-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 31 2 1
Unit cell lengths	96.534, 96.534, 100.985
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	64.400 - 1.780
R-factor	0.1741
Rwork	0.173
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eji
RMSD bond length	0.009
RMSD bond angle	1.078
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.600	1.820
High resolution limit [Å]	1.780	1.780
Rmerge	0.053
Rmeas	0.062
Rpim	0.024
Number of reflections	51992	2834
<I/σ(I)>	14.9	1.2
Completeness [%]	99.3	95.6
Redundancy	6.7	6.1
CC(1/2)	0.999	0.508

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	290.15	12% PEG 3350, 0.1 M sodium malonate pH 5.0