6KCT

Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	P 1
Unit cell lengths	71.112, 89.703, 100.049
Unit cell angles	76.76, 72.80, 80.03

Refinement procedure

Resolution	48.946 - 3.250
R-factor	0.2931
Rwork	0.292
R-free	0.31160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ycv
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.370
High resolution limit [Å]	3.250	7.000	3.250
Rmerge	0.249	0.109	0.718
Rmeas	0.297	0.127	0.844
Rpim	0.159	0.066	0.440
Total number of observations	121802
Number of reflections	33930	3276	3446
<I/σ(I)>	2.6
Completeness [%]	94.7	91.6	95.9
Redundancy	3.6	3.6	3.5
CC(1/2)		0.976	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	tri-sodium citrate, PEG 3350