9Y02

QatB-QatC complex in qatABCD anti-phage defense with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97920
Spacegroup name	P 21 21 21
Unit cell lengths	70.622, 74.249, 134.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.050 - 1.730
R-factor	0.1854
Rwork	0.184
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.821
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.050	1.750
High resolution limit [Å]	1.730	1.730
Rmerge	0.221	3.598
Rmeas	0.230	3.750
Rpim	0.061	1.038
Number of reflections	88438	3376
<I/σ(I)>	8.82	0.85
Completeness [%]	99.7	99.29
Redundancy	13.5	12.6
CC(1/2)	0.993	0.368

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	291.15	0.1 M MES pH 6.3, 14% PEG-20000, 1 mM MgCl2, 1 mM ATP, 1 mM CDG