7UO3

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

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	2021-02-04
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1806
Spacegroup name	P 41 21 2
Unit cell lengths	60.140, 60.140, 105.699
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.700 - 1.800
R-factor	0.1749
Rwork	0.173
R-free	0.20880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7uma
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.530	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.185	1.693
Number of reflections	18721	1081
<I/σ(I)>	9.1
Completeness [%]	100.0
Redundancy	12
CC(1/2)	0.993	0.343

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 300mM D-alanine for 2 mins