36CD

Crystal structure of CAT2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-10-16
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	40.783, 53.924, 173.582
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.400 - 2.430
R-factor	0.2387
Rwork	0.234
R-free	0.28550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.984
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (2.1_6048)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	2.520
High resolution limit [Å]	2.430	2.430
Rmerge	0.120	0.884
Rpim	0.069	0.548
Number of reflections	15176	1570
<I/σ(I)>	13.9	2.2
Completeness [%]	99.9	100
Redundancy	6.3	6.6
CC(1/2)	0.998	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	3mg/mL of protein in a mixture of 166mM NaCl, 16mM Tris pH 8, 66mM sodium cacodylate salt pH 8, 2mM DTT, 2% PEG1000, 33mM sodium phosphate-citrate pH 5.2, and 7% ethanol