8AN4

MenT1 toxin (rv0078a) from Mycobacterium tuberculosis H37Rv

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	I 4 2 2
Unit cell lengths	123.988, 123.988, 118.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.840 - 1.650
R-factor	0.2251
Rwork	0.225
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	tbc
RMSD bond length	0.013
RMSD bond angle	1.408
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.840	1.710
High resolution limit [Å]	1.650	1.650
Number of reflections	55309	5434
<I/σ(I)>	8.95
Completeness [%]	90.7
Redundancy	102.3
CC(1/2)	0.990	0.290

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	1.8 M lithium sulphate 0.1 M Tris pH 7.5