9VO4

X-ray structure of Clostridium perfringens pili CppB-CppA covalent complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-20
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	68.880, 106.010, 191.110
Unit cell angles	90.00, 91.83, 90.00

Refinement procedure

Resolution	50.010 - 3.310
R-factor	0.25779
Rwork	0.256
R-free	0.28751
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.002
RMSD bond angle	0.579
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.010	3.400
High resolution limit [Å]	3.310	3.310
Number of reflections	41026	3000
<I/σ(I)>	6.46
Completeness [%]	99.6
Redundancy	3.5
CC(1/2)	0.989	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium Tartrate Dibasic, 20% (w/v) PEG 3350