6Y5U

MenT3 (aka TglT), nucleotidyltransferase toxin Rv1045 from Mycobacterium tuberculosis

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	2018-09-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 32 2 1
Unit cell lengths	95.410, 95.410, 69.026
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.970 - 1.590
R-factor	0.2036
Rwork	0.202
R-free	0.22490
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.937
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXD
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.970	1.647
High resolution limit [Å]	1.590	1.590
Number of reflections	49008	4834
<I/σ(I)>	16.68
Completeness [%]	100.0
Redundancy	2
CC(1/2)	1.000	0.672

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.2 M Calcium Acetate Hydrate 0.1 M Tris pH 8.5 25% w/v PEG 2000 MME