7UXR

Crystal structure of the BtTir TIR domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	37.690, 43.127, 98.757
Unit cell angles	90.00, 90.04, 90.00

Refinement procedure

Resolution	39.520 - 1.420
R-factor	0.1897
Rwork	0.189
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7uxu
RMSD bond length	0.009
RMSD bond angle	1.052
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]	43.130	1.440
High resolution limit [Å]	1.420	1.420
Rmerge	0.066	1.171
Rmeas	0.072	1.267
Rpim	0.027	0.478
Number of reflections	59368	2685
<I/σ(I)>	11.2	0.9
Completeness [%]	98.2	88.8
Redundancy	6.9	6.6
CC(1/2)	0.999	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M HEPES, pH 7.0, 0.2 M magnesium chloride, 16-22% PEG3350