8ZWS

Mtb. MazF-mt3 toxin in compleex with its antitoxin fragmant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	84.740, 84.740, 101.768
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	73.390 - 3.270
R-factor	0.2409
Rwork	0.239
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.478
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.390	3.460
High resolution limit [Å]	3.270	3.270
Rmerge	0.162	0.909
Number of reflections	6484	791
<I/σ(I)>	14.8
Completeness [%]	94.2	81
Redundancy	14.1	12.4
CC(1/2)	0.998	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	1-2 M (NH4)2SO4, 0.1 M MES 5.5