7YK3

Crystal structure of DarTG toxin-antitoxin complex from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97800
Spacegroup name	P 1
Unit cell lengths	40.530, 54.550, 93.090
Unit cell angles	105.03, 93.10, 102.69

Refinement procedure

Resolution	34.480 - 2.200
R-factor	0.1823
Rwork	0.179
R-free	0.24990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7OMY for DarT and RoseTTAFold predicted model for DarG
RMSD bond length	0.008
RMSD bond angle	0.900
Data reduction software	MOSFLM
Data scaling software	Aimless (CCP4i 7.0.053)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.480	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.110	0.649
Rmeas	0.135	0.798
Rpim	0.077	0.455
Total number of observations	103813	9078
Number of reflections	34943	3045
<I/σ(I)>	5.5	2.4
Completeness [%]	92.2
Redundancy	3	3
CC(1/2)	0.979	0.606

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291.15	0.1 M NaHEPES, 20% w/v PEG 10000