6J7R

Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant S78A 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	95.648, 95.648, 68.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.824 - 2.299
R-factor	0.2175
Rwork	0.216
R-free	0.25170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j7t
RMSD bond length	0.010
RMSD bond angle	0.993
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]	47.824	2.440
High resolution limit [Å]	2.290	2.300
Rmerge	0.075	0.520
Number of reflections	15853	2558
<I/σ(I)>	11.69	2.52
Completeness [%]	96.3	98.3
Redundancy	4.55	4.65
CC(1/2)	0.995	0.825

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)