9YS1

Crystal structure of Cysteinyl-tRNA synthetase (CysRS) from Plasmodium falciparum in complex with AMP and Cysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-09-20
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 61 2 2
Unit cell lengths	119.835, 119.835, 365.780
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.750 - 2.340
R-factor	0.1894
Rwork	0.188
R-free	0.21550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.974
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5765: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.750	2.400
High resolution limit [Å]	2.340	2.340
Rmerge	0.140	2.141
Rmeas	0.143	2.200
Rpim	0.032	0.505
Total number of observations	1315411	91507
Number of reflections	66622	4842
<I/σ(I)>	20.4	1.5
Completeness [%]	100.0
Redundancy	19.7	18.9
CC(1/2)	0.999	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	1.53M Sodium Malonate, pH 7.0. PlfaA.00133.a.A3.PS38777 at 12.3 mg/mL. 24 hour soak with 10 mM AMP and Cysteine in 3.4M sodium malonate. plate Liu-S-192 G5 Puck: PSL-0209, Cryo: direct from soaking solution