6J7T

Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant D82A from Mycobacterium tuberculosis

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	2016-12-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9779
Spacegroup name	P 32 2 1
Unit cell lengths	94.692, 94.692, 61.836
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.373 - 1.903
R-factor	0.1897
Rwork	0.188
R-free	0.20570
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.706
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHARP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.373	1.970
High resolution limit [Å]	1.860	1.860
Rmerge	0.176	1.330
Number of reflections	50528	6992
<I/σ(I)>	14.94	1.65
Completeness [%]	97.3	83.4
Redundancy	18.67	12.47
CC(1/2)	0.998	0.619

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	0.1M Bis-Tris pH=6.5, 0.2M magnesium chloride hexahydrate and 25% polyethylene glycol 3,350 (v/v).