9PR9

Crystal structure of the Clostridiodes difficile CspA homodimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-18
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	125.980, 131.930, 155.327
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.550 - 3.260
R-factor	0.281
Rwork	0.279
R-free	0.32150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.018
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.600	8.310	3.300
High resolution limit [Å]	3.220	7.200	3.220
Number of reflections	42547	1382	3095
<I/σ(I)>	3.09
Completeness [%]	99.8
Redundancy	7.9
CC(1/2)	0.967	0.987	0.327

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	0.2 M lithium sulfate, 0.1 M morpholinoethane sulfonic acid (MES) pH 6.0, and 20% w/v polyethylene glycol (PEG) 4000