9SJ6

Structure of the Clostridioides difficile CspB protease

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	2025-03-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	C 2 2 21
Unit cell lengths	101.909, 115.726, 201.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.400 - 1.940
R-factor	0.2203
Rwork	0.218
R-free	0.25760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.022
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.20_4459: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.400	1.970
High resolution limit [Å]	1.940	1.940
Number of reflections	88232	4488
<I/σ(I)>	18.8
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.990	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M NaCl, 0.1 M Sodium Acetate trihydrate (pH 4.6) and 30% MPD