7F9R

Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95, L-Proline and Febrifugine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	C 1 2 1
Unit cell lengths	114.830, 73.830, 74.700
Unit cell angles	90.00, 111.49, 90.00

Refinement procedure

Resolution	35.721 - 1.830
R-factor	0.1673
Rwork	0.166
R-free	0.19290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xiq
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.15rc1_3423)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.340	1.860
High resolution limit [Å]	1.830	1.830
Number of reflections	51148	2547
<I/σ(I)>	13	1.2
Completeness [%]	99.7	100
Redundancy	6.8	7.1
CC(1/2)	1.000	0.400

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; 0.2M DL-Serine), 0.1 M Buffer (midazole; MES monohydrate) and 30 % v/v Precipitant (40% v/v Ethylene glycol; 20% w/v PEG 8000)