9YT2

Crystal structure of Cysteinyl-tRNA synthetase (CysRS) from Plasmodium falciparum in complex with ATP (long soak)

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	2025-10-04
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 61 2 2
Unit cell lengths	119.456, 119.456, 365.592
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.770 - 2.800
R-factor	0.1971
Rwork	0.196
R-free	0.22490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.644
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]	50.000	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.187	4.294
Rmeas	0.189	4.346
Rpim	0.030	0.668
Total number of observations	1534834	118113
Number of reflections	39150	2819
<I/σ(I)>	23.2	1.4
Completeness [%]	100.0
Redundancy	39.2	41.9
CC(1/2)	1.000	0.700

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. 1 month soak with 10 mM ATP in 3.4M sodium malonate. plate Liu-S-192 H3 Puck: PSL-2014, Cryo: direct from soaking solution