7F9Q

Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L97 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	2019-07-17
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	P 43 21 2
Unit cell lengths	76.479, 76.479, 407.543
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.939 - 2.796
R-factor	0.1944
Rwork	0.192
R-free	0.27390
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]	101.890	2.840
High resolution limit [Å]	2.796	2.800
Number of reflections	31373	1522
<I/σ(I)>	9.7	2.2
Completeness [%]	100.0	96.6
Redundancy	25.9
CC(1/2)	1.000	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.06 M Divalents (0.3M Magnesium chloride hexahydrate, 0.3M Calcium chloride dihydrate), 0.1 M Buffer (Sodium HEPES, MOPS) and 30 % v/v Precipitant (40% v/v Ethylene glycol, 20% w/v PEG 8000)