9WEK

Plasmodium vivax aspartyl-tRNA synthetase in complex with Asp-AMS in the absence of Mg ions

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	140.465, 140.465, 269.553
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.370 - 2.010
R-factor	0.18
Rwork	0.179
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9m5n
RMSD bond length	0.003
RMSD bond angle	0.672
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]	121.646	2.042
High resolution limit [Å]	2.007	2.007
Number of reflections	105006	5153
<I/σ(I)>	13.5	0.7
Completeness [%]	100.0	100
Redundancy	40.9	42.2
CC(1/2)	0.999	0.353

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	Morpheus C12: Buffer System 3 pH 8.5 (Tris and BICINE), 37.5% Precipitant Mix 4 (25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350) and 0.09 M NPS (0.3 M Sodium nitrate, 0.3 M Sodium phosphate dibasic, 0.3 M Ammonium sulfate)