9YRZ

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

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	120.002, 120.002, 366.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.810 - 2.060
R-factor	0.177
Rwork	0.176
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.924
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]	47.810	2.110
High resolution limit [Å]	2.060	2.060
Rmerge	0.142	3.233
Rmeas	0.144	3.274
Rpim	0.023	0.514
Total number of observations	3845221	282028
Number of reflections	97237	7030
<I/σ(I)>	26.1	1.7
Completeness [%]	100.0
Redundancy	39.5	40.1
CC(1/2)	1.000	0.736

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 AMP in 3.4M sodium malonate. Liu-S-192 E1, Puck: PSL-0203, Cryo: direct from soaking solution