8B63

Crystal Structure of P. aeruginosa WaaG in complex with UDP-GalNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-07
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	41.762, 109.963, 94.326
Unit cell angles	90.00, 90.22, 90.00

Refinement procedure

Resolution	55.040 - 2.200
R-factor	0.22105
Rwork	0.219
R-free	0.25814
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iv7
RMSD bond length	0.008
RMSD bond angle	1.537
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.042	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	43178	3679
<I/σ(I)>	5.5
Completeness [%]	99.9
Redundancy	4.9
CC(1/2)	0.991	0.554

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1M MIB pH 4.0, 25% w/v PEG 1500