6L3Y

Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Clado-C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	293
Detector technology	PIXEL
Collection date	2019-05-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	299.841, 52.831, 70.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.960 - 3.100
R-factor	0.228
Rwork	0.225
R-free	0.27990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pg3
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.15rc1_3423)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	149.921	2.948
High resolution limit [Å]	2.890	2.898
Number of reflections	25891	1293
<I/σ(I)>	5.7	0.8
Completeness [%]	100.0	100
Redundancy	13.3
CC(1/2)	0.989	0.446

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.09M NPS-0.3M Sodium nitrate, 0.3 Sodium phosphate dibasic,0.3M Ammonium sulfate. 1.0M Buffer-pH6.5- Imidazole; MES monohydrate (acid) Precipitant Mix-25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350