9M5M

Crystal structure of Plasmodium vivax aspartyl-tRNA synthetase (PvDRS)

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	2022-04-27
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 61 2 2
Unit cell lengths	140.447, 140.447, 272.559
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	72.790 - 2.060
R-factor	0.1844
Rwork	0.183
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.847
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.850	2.100
High resolution limit [Å]	2.060	2.060
Rmerge	0.109	2.617
Rmeas	0.110	2.732
Rpim	0.018	0.750
Total number of observations	3254813	55961
Number of reflections	98198	4723
<I/σ(I)>	20.4	0.3
Completeness [%]	99.8
Redundancy	33.1	11.8
CC(1/2)	1.000	0.323

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M Lithium sulfate, 0.1M Bis-Tris pH 6.5, 25% w/v PEG 3350