9C14

Structure of the CopC-like domain of YcnJ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.378
Spacegroup name	P 43 21 2
Unit cell lengths	35.957, 35.957, 165.762
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.440 - 1.600
R-factor	0.2129
Rwork	0.211
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.898
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.250	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.858
Rmeas	0.876	40.355
Rpim	0.177	8.103
Number of reflections	15495	746
<I/σ(I)>	9.6
Completeness [%]	100.0	100
Redundancy	24.1	24.6
CC(1/2)	0.997	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Lithium Sulfate, 39% PEG 8000. Cross-seeding with crystals obtained for YcnI W137F (PDB ID: 8UM6)