9YT0

Crystal structure of Cysteinyl-tRNA synthetase (CysRS) from Plasmodium falciparum in complex with ADP (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	119.897, 119.897, 365.785
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.770 - 2.450
R-factor	0.1905
Rwork	0.189
R-free	0.21640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.878
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]	49.940	2.510
High resolution limit [Å]	2.450	2.450
Rmerge	0.149	3.536
Rmeas	0.151	3.579
Rpim	0.024	0.551
Total number of observations	2292848	174501
Number of reflections	58292	4207
<I/σ(I)>	25.4	1.6
Completeness [%]	100.0
Redundancy	39.3	41.5
CC(1/2)	1.000	0.776

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 ADP in 3.4M sodium malonate. plate Liu-S-192 H3 Puck: PSL-2013, Cryo: direct from soaking solution