6J7N

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-01
Detector	DECTRIS EIGER X 1M
Wavelength(s)	0.9792
Spacegroup name	P 32 2 1
Unit cell lengths	95.502, 95.502, 68.183
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.750 - 2.294
R-factor	0.2141
Rwork	0.211
R-free	0.26720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j7t
RMSD bond length	0.007
RMSD bond angle	0.832
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]	47.750	2.430
High resolution limit [Å]	2.290	2.290
Rmerge	0.078	0.906
Number of reflections	29779	4746
<I/σ(I)>	7.25	0.87
Completeness [%]	95.6	94.7
Redundancy	2.8	2.74
CC(1/2)	0.994	0.478

Crystallization Conditions

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