9YS2

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

This is a non-PDB format compatible entry.

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	120.044, 120.044, 365.723
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.820 - 2.220
R-factor	0.1772
Rwork	0.176
R-free	0.20480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.963
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]	47.820	2.280
High resolution limit [Å]	2.220	2.220
Rmerge	0.140	2.365
Rmeas	0.144	2.427
Rpim	0.032	0.542
Total number of observations	1546532	111657
Number of reflections	77956	5633
<I/σ(I)>	20	1.7
Completeness [%]	100.0
Redundancy	19.8	19.8
CC(1/2)	0.999	0.714

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 ATP and Cysteine in 3.4M sodium malonate. The cysteinyl-AMP intermediate formed during the soak. plate Liu-S-192 G6 Puck: PSL-0210, Cryo: direct from soaking solution