9WEF

Plasmodium vivax aspartyl-tRNA synthetase in complex with AMS and SO4

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	2022-11-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97627
Spacegroup name	P 61 2 2
Unit cell lengths	139.698, 139.698, 272.186
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	110.553 - 2.402
R-factor	0.1827
Rwork	0.181
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.799
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.15rc1_3423: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	120.982	2.444
High resolution limit [Å]	2.402	2.402
Rmeas	0.119
Number of reflections	61783	3009
<I/σ(I)>	28.9	2.5
Completeness [%]	100.0	99.3
Redundancy	40.4	35.7
CC(1/2)	0.999	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	SG1-E12: 0.1 M Sodium HEPES pH 7.5, 25% w/v PEG 3350 and 0.2 M Ammonium sulfate