7UMA

Crystal structure of Tlde1a from Salmonella Typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2021-02-04
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	59.381, 59.381, 105.125
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.690 - 1.600
R-factor	0.1661
Rwork	0.165
R-free	0.18730
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	NaI derivative solved using SAD
RMSD bond length	0.009
RMSD bond angle	0.934
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.990	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.060
Rpim	0.017
Number of reflections	25343	1118
<I/σ(I)>	25.9
Completeness [%]	99.6	92.2
Redundancy	13.2
CC(1/2)	0.999	0.525

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