9V8I

Crystal structure for YxiD-YxxD toxin-immunity protein complex from Bacillus subtilis 6633.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.873128
Spacegroup name	C 2 2 21
Unit cell lengths	67.378, 70.890, 91.788
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.440 - 1.700
R-factor	0.1878
Rwork	0.186
R-free	0.22710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.850
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.110	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.163	0.767
Rmeas	0.176	0.830
Rpim	0.067	0.315
Total number of observations	159828	8408
Number of reflections	23814	1235
<I/σ(I)>	11.2	2.8
Completeness [%]	97.6
Redundancy	6.7	6.8
CC(1/2)	0.988	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M Tris pH 8.0 and 30% PEG MME 2K