9M5N

Plasmodium vivax aspartyl-tRNA synthetase in complex with aspartyl-adenylate (Asp-AMP) Complex.

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	139.939, 139.939, 271.801
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.600 - 2.140
R-factor	0.1856
Rwork	0.184
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.893
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	121.190	2.180
High resolution limit [Å]	2.140	2.140
Rmeas	0.120	4.391
Rpim	0.020
Number of reflections	80749	4253
<I/σ(I)>	23.4	0.6
Completeness [%]	92.6	99.3
Redundancy	34.8
CC(1/2)	1.000	0.352

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M Sodium acetate trihydrate, 0.1M Bis-Tris pH 5.5, 25% w/v PEG 3350