8AN5

MenAT1 toxin-antitoxin complex (rv0078a-rv0078b) from Mycobacterium tuberculosis H37Rv

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	2020-10-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	45.868, 81.725, 64.826
Unit cell angles	90.00, 107.78, 90.00

Refinement procedure

Resolution	43.680 - 1.440
R-factor	0.1715
Rwork	0.171
R-free	0.18990
Structure solution method	AB INITIO PHASING
RMSD bond length	0.010
RMSD bond angle	1.124
Data reduction software	XDS
Data scaling software	XDS
Phasing software	Arcimboldo
Refinement software	REFMAC (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.680	1.492
High resolution limit [Å]	1.440	1.440
Number of reflections	82208	8166
<I/σ(I)>	13.07
Completeness [%]	99.8
Redundancy	13.5
CC(1/2)	1.000	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.2 M sodium fluoride 0.1 M Bis-Tris propane pH 6.5 20% w/v PEG 3350