8DVW

Structure of the Campylobacter concisus glycosyltransferase PglA R203Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	94.924, 94.924, 101.064
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.050 - 2.290
R-factor	0.2022
Rwork	0.201
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eji
RMSD bond length	0.005
RMSD bond angle	0.588
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.210	2.370
High resolution limit [Å]	2.290	2.290
Rmerge	0.182
Rmeas	0.203
Rpim	0.089
Number of reflections	23933	2115
<I/σ(I)>	8.1
Completeness [%]	99.0	89.6
Redundancy	9.8	9.4
CC(1/2)	0.996	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290.15	25% PEG 3350, 0.1 M BIS-TRIS pH 5.5