9TPB

Canilysin from Capnocytophaga canimorsus (Strain 5)

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	2023-03-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	123.250, 94.560, 83.960
Unit cell angles	90.00, 128.43, 90.00

Refinement procedure

Resolution	62.680 - 2.500
R-factor	0.2131
Rwork	0.212
R-free	0.27260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.041
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.600	2.650
High resolution limit [Å]	2.500	2.500
Number of reflections	26140	593
<I/σ(I)>	11
Completeness [%]	99.2
Redundancy	6.8
CC(1/2)	0.997	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M CaCl2, 20% PEG 3350