7UWG

The crystal structure of the TIR domain-containing protein from Acinetobacter baumannii (AbTir)

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	2018-02-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	54.683, 67.770, 72.167
Unit cell angles	90.00, 110.46, 90.00

Refinement procedure

Resolution	47.860 - 2.160
R-factor	0.1937
Rwork	0.191
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lqc
RMSD bond length	0.003
RMSD bond angle	0.625
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.860	2.240
High resolution limit [Å]	2.160	2.160
Rmerge	0.120	0.660
Rmeas	0.140
Rpim	0.100	0.520
Number of reflections	25989	2180
<I/σ(I)>	7.6
Completeness [%]	97.9
Redundancy	3.8
CC(1/2)	0.990	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1 M Bis-Tris pH 5.5, 0.2 M LiSO4, and 25% PEG 3350