7VC5

Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor T35 and Febrifugine (FF) at 1.61 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	C 1 2 1
Unit cell lengths	115.194, 73.092, 74.936
Unit cell angles	90.00, 111.57, 90.00

Refinement procedure

Resolution	53.562 - 1.612
R-factor	0.1665
Rwork	0.165
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f9s
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.15rc1_3423)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.380	1.640
High resolution limit [Å]	1.610	1.610
Rmeas	0.050	2.511
Number of reflections	74455	3674
<I/σ(I)>	15.4
Completeness [%]	99.9	100
Redundancy	6.7	6.6
CC(1/2)	1.000	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M Amino acids (0.2M DL-Glutamic acid monohydrate, 0.2M DL-Alanine, 0.2M Glycine, 0.2M DL-Lysine monohydrochloride and 0.2M DL-Serine), 0.1 M Buffer (Imidazole; MES monohydrate), 30 % v/v Precipitant (40% v/v Ethylene glycol, 20% w/v PEG 8000)