9G12

Mycobacterium tuberculosis RelBE1 toxin-antitoxin system; rv1247c (relB1 antitoxin), rv1246c (relE1 toxin)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	I 21 21 21
Unit cell lengths	88.989, 98.541, 97.345
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.710 - 2.200
R-factor	0.2413
Rwork	0.239
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.975
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.710	2.279
High resolution limit [Å]	2.200	2.200
Number of reflections	22101	2193
<I/σ(I)>	20.9
Completeness [%]	100.0
Redundancy	1
CC(1/2)	1.000	0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	4 M Ammonium acetate 0.1 M Bis-tris propane pH 7.0