9SAX

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	83.919, 117.042, 155.899
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.890 - 2.830
R-factor	0.2212
Rwork	0.220
R-free	0.24150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.299
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.003	3.120
High resolution limit [Å]	2.830	2.830
Number of reflections	24687	1234
<I/σ(I)>	9.8
Completeness [%]	91.1
Redundancy	6.5
CC(1/2)	0.998	0.561

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% (w/v) PEG 3000 0.1M Sodium citrate/ Citric acid pH 5.5