9YT3

Crystal structure of Cysteinyl-tRNA synthetase (CysRS) from Plasmodium falciparum in complex with 5'-Sulfamoyladenosine

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	121.070, 121.070, 364.871
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.390 - 2.770
R-factor	0.1912
Rwork	0.189
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.162
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5847: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.390	2.840
High resolution limit [Å]	2.770	2.770
Rmerge	0.167	2.580
Rmeas	0.172	2.648
Rpim	0.039	0.593
Total number of observations	797022	58652
Number of reflections	41382	2964
<I/σ(I)>	19.5	1.6
Completeness [%]	100.0
Redundancy	19.3	19.8
CC(1/2)	0.999	0.579

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. 7 day soak with 10 mM LMS in 3.4M sodium malonate. plate Liu-S-192 G8 Puck: PSL-2103, Cryo: direct from soaking solution