6L4Q

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

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	2019-05-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	52.181, 121.833, 179.695
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.692 - 3.100
R-factor	0.2351
Rwork	0.233
R-free	0.28600
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	Inner shell	Outer shell
Low resolution limit [Å]	59.900	59.910	3.050
High resolution limit [Å]	3.000	8.140	3.000
Number of reflections	23834	1342	1181
<I/σ(I)>	3.1
Completeness [%]	100.0	100	98.7
Redundancy	13
CC(1/2)	0.982	1.000	0.200

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	0.1M Carboxylic acids-0.2M Sodium formate; 0.2M Ammonium acetate; 0.2M Sodium citrate tribasic dihydrate; 0.2M Sodium potassium tartrate tetrahydrate; 0.2M Sodium oxamate Buffer System- Imidazole; MES monohydrate (acid) 50% v/v Precipitant Mix25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350