7ROR

Plasmodium falciparum tyrosyl-tRNA synthetase in complex with tyrosine-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	137.612, 46.597, 141.402
Unit cell angles	90.00, 93.81, 90.00

Refinement procedure

Resolution	47.650 - 1.800
R-factor	0.1795
Rwork	0.178
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vgj
RMSD bond length	0.013
RMSD bond angle	1.255
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.650	1.830
High resolution limit [Å]	1.800	1.800
Rmeas	0.069	2.298
Rpim	0.036	0.862
Number of reflections	83538	4539
<I/σ(I)>	13.3	0.9
Completeness [%]	100.0
Redundancy	6.9
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.25 M sodium malonate, pH 6