9KAN

Crystal structure of the C. jejuni VapD-VapW toxin-antitoxin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	89.578, 94.807, 137.684
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.400 - 1.950
R-factor	0.2223
Rwork	0.221
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.947
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.403	2.060
High resolution limit [Å]	1.950	1.950
Rmeas	0.208
Number of reflections	83090	13382
<I/σ(I)>	7.67	0.79
Completeness [%]	99.9	99.4
Redundancy	24.1
CC(1/2)	0.995	0.525

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	293	20% (w/v) PEG 1000; 100 mM Sodium phosphate dibasic/Citric acid, pH 4.2; 200 mM lithium sulfate.