7FAL

Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with T36 and L-pro

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-28
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	76.011, 86.333, 104.462
Unit cell angles	90.00, 102.33, 90.00

Refinement procedure

Resolution	54.741 - 3.219
R-factor	0.2301
Rwork	0.229
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6aa0
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.15rc2_3428)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.300	3.330
High resolution limit [Å]	3.219	3.270
Number of reflections	22703	1124
<I/σ(I)>	4.6	2
Completeness [%]	100.0
Redundancy	6.7
CC(1/2)	1.000	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Morpheus E2