6J7O

Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant E146Q 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	2018-09-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9789
Spacegroup name	P 32 2 1
Unit cell lengths	95.443, 95.443, 69.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.280 - 1.900
R-factor	0.1963
Rwork	0.195
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j7t
RMSD bond length	0.007
RMSD bond angle	0.924
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]	39.280	2.010
High resolution limit [Å]	1.900	1.900
Rmerge	0.078	1.120
Number of reflections	28982	4601
<I/σ(I)>	17.42	2.01
Completeness [%]	99.8	99.4
Redundancy	9.97	9.94
CC(1/2)	0.999	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	0.2M magnesium chloride hexahydrate;0.1M bis-tris ph6.5;25%PEG3350 Cryo:10%ethylene glycol