8FZ9

Crystal Structure of Bacillus cereus TIR protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	32.695, 38.285, 66.822
Unit cell angles	102.27, 95.75, 101.91

Refinement procedure

Resolution	36.370 - 1.780
R-factor	0.1637
Rwork	0.161
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.283
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.550	1.820
High resolution limit [Å]	1.780	1.780
Rmerge	0.088	0.541
Rmeas	0.108	0.663
Rpim	0.061	0.378
Total number of observations	81850	4421
Number of reflections	27618	1513
<I/σ(I)>	9.1	2.3
Completeness [%]	94.2
Redundancy	3	2.9
CC(1/2)	0.987	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.03 M Citric Acid, 0.07 M Bis-Tris, pH 7.6, 20% PEG 3,350