6J7S

Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) wild type protein 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	2017-11-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9785
Spacegroup name	P 32 2 1
Unit cell lengths	95.890, 95.890, 68.886
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.560 - 2.102
R-factor	0.2009
Rwork	0.199
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j7t
RMSD bond length	0.004
RMSD bond angle	0.731
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.560	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.081	0.746
Number of reflections	21592	3430
<I/σ(I)>	23.47	3.18
Completeness [%]	99.9	99.9
Redundancy	11.04	11.23
CC(1/2)	0.999	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	296	0.1 M Bis-Tris pH 6.5, 0.2 M magnesium chloride hexahydrate, 25% polyethylene glycol 3350 (v/v).