9GCO

Xenorhabdus bovienii Thioredoxin complex with Rhs toxin TreX and immunity protein TriX

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 21 21 2
Unit cell lengths	81.955, 82.353, 121.607
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.920 - 2.000
R-factor	0.1896
Rwork	0.188
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.920	1.990
High resolution limit [Å]	1.940	1.940
Rmerge	0.111	1.544
Rpim	0.032	0.449
Number of reflections	61176	4167
<I/σ(I)>	14.5
Completeness [%]	99.5
Redundancy	13.3	12.1
CC(1/2)	0.999	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Calcium chloride dihydrate, 0.1 M Tris-HCl pH 8.0, 44 % v/v PEG 400