7UO8

Co-crystal structure of Salmonella Typhimurium Tlde1a in complex with D-methionine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1806
Spacegroup name	P 41 21 2
Unit cell lengths	59.461, 59.461, 106.796
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.050 - 1.600
R-factor	0.1959
Rwork	0.189
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7uma
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.050	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.062	0.449
Number of reflections	26027	2538
<I/σ(I)>	23.9
Completeness [%]	99.3	99.8
Redundancy	13.1
CC(1/2)	0.999	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	12mg/ml Tlde1a, 15% PEG 3350, 0.2M Ammonium sulphate, Soaked with 161mM D-methionine for 2 mins 30 secs