8B5Q

Crystal Structure of P. aeruginosa WaaG in complex with UMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	41.928, 108.441, 92.358
Unit cell angles	90.00, 90.11, 90.00

Refinement procedure

Resolution	92.360 - 2.000
R-factor	0.19663
Rwork	0.194
R-free	0.24461
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iv7
RMSD bond length	0.009
RMSD bond angle	1.596
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	108.400	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	53974	4041
<I/σ(I)>	6.6
Completeness [%]	96.9
Redundancy	3.3
CC(1/2)	0.911	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Lithium chloride, 0.1 M MES pH 6.0, 20 % PEG6000