6Y56

MenT4, nucleotidyltransferase toxin Rv2826c 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	2019-12-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9781
Spacegroup name	P 1 21 1
Unit cell lengths	42.268, 57.804, 54.734
Unit cell angles	90.00, 92.29, 90.00

Refinement procedure

Resolution	54.690 - 1.230
R-factor	0.1845
Rwork	0.184
R-free	0.19500
Structure solution method	AB INITIO PHASING
RMSD bond length	0.005
RMSD bond angle	0.829
Data reduction software	XDS
Data scaling software	XDS
Phasing software	Arcimboldo
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.690	1.274
High resolution limit [Å]	1.230	1.230
Number of reflections	75996	7206
<I/σ(I)>	15.55
Completeness [%]	98.8
Redundancy	1.97
CC(1/2)	0.996	0.294

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