9TPC

Canilysin from capnocytanophaga 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	2023-11-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	97.920, 95.060, 42.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.210 - 1.700
R-factor	0.1861
Rwork	0.185
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.822
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]	68.210	1.800
High resolution limit [Å]	1.700	1.700
Number of reflections	44333	726
<I/σ(I)>	8.7
Completeness [%]	99.7
Redundancy	13.1
CC(1/2)	0.997	0.681

Crystallization Conditions

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