9Z4D

Crystal structure of Cysteinyl-tRNA synthetase (CysRS) from Plasmodium falciparum (Hexagonal P form)

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	2025-11-01
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 61 2 2
Unit cell lengths	120.174, 120.174, 363.170
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.810 - 2.870
R-factor	0.2164
Rwork	0.215
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.563
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]	50.020	2.940
High resolution limit [Å]	2.870	2.870
Rmerge	0.230	3.959
Rmeas	0.233	4.006
Rpim	0.037	0.611
Total number of observations	1420633	110623
Number of reflections	36614	2643
<I/σ(I)>	20.4	1.6
Completeness [%]	100.0
Redundancy	38.8	41.9
CC(1/2)	0.999	0.638

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. Crystals were obtained as the GSU complex and soaked for 2 weeks with 10 mM Histidine in cryoprotectant. This displaced the GSU ligand resulting in an apo structure. Histidine was not bound. plate Liu-S-192 H8 , Puck: PSL-0115, Cryo: 3.4M sodium malonate