6J7Q

Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant S78A 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	95.413, 95.413, 68.129
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.078 - 1.850
R-factor	0.1952
Rwork	0.194
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j7t
RMSD bond length	0.009
RMSD bond angle	0.843
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]	39.080	1.960
High resolution limit [Å]	1.850	1.850
Rmerge	0.056	0.961
Number of reflections	30873	4918
<I/σ(I)>	22.42	2.45
Completeness [%]	99.9	99.5
Redundancy	9.98	10.12
CC(1/2)	1.000	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	0.2M magnesium chloride hexahydrate, 0.1M bis-tris ph 6.5, 25% PEG 3350