6KCN

Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 4

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	71.174, 89.920, 100.044
Unit cell angles	76.70, 72.95, 80.11

Refinement procedure

Resolution	49.057 - 2.200
R-factor	0.1905
Rwork	0.188
R-free	0.23310
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	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.104	0.047	0.506
Rmeas	0.124	0.055	0.608
Rpim	0.065	0.028	0.331
Total number of observations	361081
Number of reflections	107713	10971	11152
<I/σ(I)>	4.5
Completeness [%]	92.0	94	95
Redundancy	3.4	3.6	3.2
CC(1/2)		0.995	0.614

Crystallization Conditions

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