8S2N

Xenorhabdus bovienii Rhs toxin TreTu complex with TrxA and TriTu immunity protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97856
Spacegroup name	P 41 21 2
Unit cell lengths	74.600, 74.600, 190.703
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.380 - 2.110
R-factor	0.1997
Rwork	0.198
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.800
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (1.18_3845)
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.380	2.160
High resolution limit [Å]	2.110	2.110
Rmerge	0.069	1.628
Rmeas	0.070	1.661
Rpim	0.014	0.325
Number of reflections	32092	2227
<I/σ(I)>	30.9	30.9
Completeness [%]	99.7	96
Redundancy	26
CC(1/2)	1.000	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium sulfate, 0.02 M Sodium chloride, 0.02 M Sodium acetate pH 4.0, 33 % v/v PEG 200