7F9P

Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95 and azetidine

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	151.130, 75.495, 110.166
Unit cell angles	90.00, 152.24, 90.00

Refinement procedure

Resolution	51.320 - 1.570
R-factor	0.1769
Rwork	0.175
R-free	0.20220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xiq
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.15rc1_3423)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.490	1.600
High resolution limit [Å]	1.570	1.570
Number of reflections	79294	3363
<I/σ(I)>	11.8	0.5
Completeness [%]	98.5	83.6
Redundancy	6.2
CC(1/2)	1.000	0.700

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 (Imidazole; MES monohydrate) and 30 % v/v Precipitant (40% v/v Ethylene glycol; 20% w/v PEG 8000)