9YRW

Crystal structure of Cysteinyl-tRNA synthetase (CysRS) from Plasmodium falciparum in complex with O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE

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	120.001, 120.001, 367.223
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.830 - 2.030
R-factor	0.1786
Rwork	0.177
R-free	0.19970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.837
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	2.080
High resolution limit [Å]	2.030	2.030
Rmerge	0.172	2.877
Rmeas	0.174	2.913
Rpim	0.028	0.455
Total number of observations	4005850	299249
Number of reflections	101749	7373
<I/σ(I)>	22.9	1.7
Completeness [%]	100.0
Redundancy	39.4	40.6
CC(1/2)	1.000	0.777

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 GSU in 3.4M sodium malonate. Liu-S-192 E1, Puck: PSL-0114, Cryo: direct from soaking solution