8XHR

Crystal structure of Mycobacterium tuberculosis MenT3 bound with CTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-10
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0450
Spacegroup name	P 1 21 1
Unit cell lengths	59.960, 91.530, 85.060
Unit cell angles	90.00, 101.00, 90.00

Refinement procedure

Resolution	49.510 - 2.100
R-factor	0.1905
Rwork	0.188
R-free	0.24110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.103
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.510	49.510	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.138	0.030	1.411
Rmeas	0.149	0.033	1.524
Number of reflections	52668	613	3834
<I/σ(I)>	12.87
Completeness [%]	99.8
Redundancy	7
CC(1/2)	0.998	0.999	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	0.2M sodium malonate, 20% PEG 3350