9YRX

Crystal structure of Cysteinyl-tRNA synthetase (CysRS) from Plasmodium falciparum in complex with 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	119.407, 119.407, 366.295
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.760 - 2.160
R-factor	0.1912
Rwork	0.190
R-free	0.21530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.744
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]	49.760	2.220
High resolution limit [Å]	2.160	2.160
Rmerge	0.172	3.352
Rmeas	0.175	3.399
Rpim	0.028	0.554
Total number of observations	3310030	227156
Number of reflections	83786	6103
<I/σ(I)>	22.8	1.7
Completeness [%]	100.0
Redundancy	39.5	37.2
CC(1/2)	1.000	0.727

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 cysteine in 3.4M sodium malonate. Liu-S-192 E1, Puck: PSL-0201, Cryo: direct from soaking solution