9DLO

Crystal structure of the monomeric form of CanA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	30.963, 58.443, 173.563
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.220 - 1.950
R-factor	0.214
Rwork	0.213
R-free	0.23690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.173
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.170	0.069	0.829
Rmeas	0.182	0.073	0.916
Rpim	0.063	0.023	0.377
Number of reflections	11043	650	518
<I/σ(I)>	4.5
Completeness [%]	94.9	99.5	91.5
Redundancy	7.1	9.6	4.8
CC(1/2)	0.998	0.998	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM MgCl2, 30% PEG 4K, 3% Xylitol, and 100 mM Tris pH 8.5