6J7P

Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant E146Q 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	94.691, 94.691, 67.252
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.340 - 2.629
R-factor	0.273
Rwork	0.272
R-free	0.29450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.598
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]	47.340	2.770
High resolution limit [Å]	2.610	2.610
Rmerge	0.149	0.744
Number of reflections	18280	2487
<I/σ(I)>	4.45	0.94
Completeness [%]	89.5	75.6
Redundancy	2.47	1.95
CC(1/2)	0.976	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	296	0.2M magnesium chloride hexahydrate, 0.1M bis-tris ph6.5, 25% PEG 3350, 10% ethylene glycol