9SA5

Inhibition by ATP regulates the activity of a CBASS antiphage nucleotide cyclase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-06
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	87.296, 116.702, 156.571
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.250 - 2.090
R-factor	0.2194
Rwork	0.218
R-free	0.27730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.093
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.340	2.120
High resolution limit [Å]	2.090	2.090
Number of reflections	91646	3347
<I/σ(I)>	10.1
Completeness [%]	96.0
Redundancy	5.6
CC(1/2)	0.995	0.188

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.4 M Sodium malonate dibasic monohydrate pH 7.0