9W3A

Crystal structure of PfiAT toxin-antitoxin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	300
Detector technology	PIXEL
Collection date	2022-09-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	73.171, 107.408, 125.722
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.390 - 2.300
Rwork	0.202
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.868
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.390	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	44523	4378
<I/σ(I)>	26.45
Completeness [%]	99.4
Redundancy	13.2
CC(1/2)	0.999	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	300	22% PEG MME 550, 0.1 M DL-Malic acid pH 7.0, 0.1 M Imidazole