7X6F

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)	0.9000
Spacegroup name	P 1 21 1
Unit cell lengths	42.963, 149.785, 88.302
Unit cell angles	90.00, 94.65, 90.00

Refinement procedure

Resolution	39.803 - 2.300
Rwork	0.221
R-free	0.27350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold structure
RMSD bond length	0.010
RMSD bond angle	1.513
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]	43.430	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.091	0.834
Rmeas	0.108	0.983
Rpim	0.058	0.516
Number of reflections	48807	4582
<I/σ(I)>	8.5	1.6
Completeness [%]	98.9	99.7
Redundancy	3.4	3.6
CC(1/2)	0.996	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.08 M magnesium acetate tetrahydrate, 0.1 M sodium citrate pH 6.0, 14% (w/v) polyethylene glycol monomethyl ether 5000