8U12

Crystal Structure of Antitoxin Protein Rv0298 of Type II Toxin-antitoxin Systems from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-25
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	H 3
Unit cell lengths	141.237, 141.237, 86.677
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.360 - 1.600
R-factor	0.1664
Rwork	0.166
R-free	0.18600
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.230
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.112	0.901
Rmeas	0.118	0.968
Rpim	0.038	0.556
Number of reflections	84954	3917
<I/σ(I)>	18.9	1.04
Completeness [%]	99.4	91.1
Redundancy	9	3.1
CC(1/2)	0.995	0.411

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.1 M Tris pH 8.5, 1.0 M magnesium sulfate