9B7D

Structure of ThsB-Tad3 complex

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]	80
Detector technology	PIXEL
Collection date	2022-12-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	71.937, 80.650, 72.323
Unit cell angles	90.00, 99.84, 90.00

Refinement procedure

Resolution	35.630 - 1.800
R-factor	0.1851
Rwork	0.184
R-free	0.22070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.655
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]	35.630	1.840
High resolution limit [Å]	1.800	1.800
Rpim		0.765
Number of reflections	75023	4316
<I/σ(I)>	10
Completeness [%]	99.4
Redundancy	4.3
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.1 M Tris pH 8.0 0.2 M MgCl2 25% PEG 3350