9WEE

Plasmodium vivax aspartyl-tRNA synthetase in complex with Asp-AMP 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	2022-04-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 61 2 2
Unit cell lengths	139.986, 139.986, 274.052
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	121.231 - 2.320
R-factor	0.1913
Rwork	0.190
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9m5m
RMSD bond length	0.004
RMSD bond angle	0.695
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]	121.231	2.360
High resolution limit [Å]	2.320	2.320
Rmeas	0.256
Number of reflections	69192	3410
<I/σ(I)>	15.9	0.8
Completeness [%]	100.0	100
Redundancy	39.7	29.7
CC(1/2)	0.999	0.355

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	ProPlex C4: 0.1 M Sodium citrate pH 6.0, 20% w/v PEG 4000, 0.2 M Lithium sulfate