8SSK

Citrobacter rodentium contact dependent growth inhibition (CDI) entry and toxin (CdiA-CT) domains

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	66.870, 113.982, 87.351
Unit cell angles	90.00, 92.39, 90.00

Refinement procedure

Resolution	39.260 - 1.900
R-factor	0.1642
Rwork	0.162
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.916
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.260	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.118	1.187
Rmeas	0.140	1.409
Rpim	0.074	0.748
Number of reflections	101283	4996
<I/σ(I)>	11.4	1.6
Completeness [%]	98.5	98.7
Redundancy	7	7
CC(1/2)	0.998	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	277	0.1 M sodium acetate, pH 4, 2 M ammonium sulfate