9WEM

Plasmodium vivax aspartyl-tRNA synthetase in combination with Asp-AMS, Mg ion, MOPS and PGE

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	2023-03-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 61 2 2
Unit cell lengths	139.008, 139.008, 273.343
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.086 - 2.128
R-factor	0.1984
Rwork	0.197
R-free	0.22440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.610
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]	120.384	2.165
High resolution limit [Å]	2.128	2.128
Number of reflections	87793	4313
<I/σ(I)>	10.5	0.5
Completeness [%]	100.0	100
Redundancy	40.6	41.9
CC(1/2)	0.997	0.376

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Morepheus F5: 0.1 M Buffer System 2 pH 7.5 (Sodium HEPES and MOPS), 30% Precipitant Mix 2 (40% v/v Ethylene glycol; 20 % w/v PEG 8000) and 0.12 M Monosaccharides (0.2 M D-Glucose; 0.2 M D-Mannose; 0.2 M D-Galactose; 0.2 M L-Fucose; 0.2 M D- Xylose; 0.2 M N-Acetyl-D-Glucosamine)