6M0T

Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin derivative (CL-2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	293.14
Detector technology	PIXEL
Collection date	2017-05-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97626
Spacegroup name	P 21 21 2
Unit cell lengths	299.560, 59.140, 141.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.841 - 2.680
R-factor	0.1931
Rwork	0.190
R-free	0.24630
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]	36.841	7.260
High resolution limit [Å]	2.680	2.680
Rmerge	0.139	1.664
Number of reflections	72044	3514
<I/σ(I)>	12.6
Completeness [%]	100.0
Redundancy	12.5
CC(1/2)	0.998	0.501

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	0.1M Carboxylic acids,0.1 M Buffer System1 6.5- Imidazole and MES monohydrate, 50%v/v Precipitant Mix - 25% v/vMPD, 25% PEG 1000, 25% w/V PEG3350