8S2M

Xenorhabdus bovienii Rhs C-terminal toxin TreX complex with TriX 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)	0.8266
Spacegroup name	P 21 21 2
Unit cell lengths	77.995, 93.855, 39.903
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.210 - 1.280
R-factor	0.1711
Rwork	0.171
R-free	0.18490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.850
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (1.20_4459)
Refinement software	PHENIX ((1.20_4459: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.930	1.310
High resolution limit [Å]	1.280	1.280
Rmerge	0.054	1.506
Rmeas	0.056	1.575
Rpim	0.015	0.455
Total number of observations	1012505	64322
Number of reflections	76705	5484
<I/σ(I)>	23	1.6
Completeness [%]	99.8
Redundancy	13.2	11.7
CC(1/2)	1.000	0.692

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.1 M Sodium malonate dibasic monohydrate, 0.1 M HEPES pH 7.0, 0,5 % v/v Jeffamine ED-2003