9T7M

Crystallographic structure of Clostridioides difficile CspA protein in complex with Taurocholate at 2.9 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-10-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97918
Spacegroup name	P 2 21 21
Unit cell lengths	141.239, 158.629, 188.364
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.870 - 2.900
R-factor	0.2069
Rwork	0.205
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.535
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.520	2.950
High resolution limit [Å]	2.900	2.900
Number of reflections	94280	4617
<I/σ(I)>	14.2
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.996	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Na Sulfate and 20 % PEG 3350