7X6G

Outer membrane lipoprotein QseG of Escherichia coli O157:H7

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	2021-12-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.900
Spacegroup name	P 1 21 1
Unit cell lengths	43.383, 149.928, 88.138
Unit cell angles	90.00, 95.63, 90.00

Refinement procedure

Resolution	37.854 - 2.350
Rwork	0.245
R-free	0.29640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold structure
RMSD bond length	0.002
RMSD bond angle	0.682
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.860	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.070	0.851
Rmeas	0.083	1.015
Rpim	0.045	0.549
Number of reflections	45799	4566
<I/σ(I)>	9.3	1.5
Completeness [%]	98.3	99.9
Redundancy	3.4	3.3
CC(1/2)	0.997	0.613

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.32 M Lithium chloride, 0.1 M Sodium citrate pH 5.5, 14 % w/v PEG 4000