9XSN

Crystal structure of the QatD nuclease from the Qat anti-phage system

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2025-03-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	57.154, 64.994, 141.447
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.690 - 2.420
R-factor	0.2457
Rwork	0.245
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.590
Data reduction software	autoPX
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.150	2.480
High resolution limit [Å]	2.420	2.420
Rmerge	0.157	1.272
Number of reflections	20767	1512
<I/σ(I)>	17.84
Completeness [%]	99.9
Redundancy	12.3
CC(1/2)	0.995	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	0.15 M DL-Malic acid pH 7.0, 20% w/v Polyethylene glycol 3350