6KAB

Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 2

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	71.045, 90.008, 100.619
Unit cell angles	76.43, 72.92, 79.76

Refinement procedure

Resolution	46.173 - 2.892
R-factor	0.2265
Rwork	0.224
R-free	0.27340
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	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.131	0.065	0.430
Rmeas	0.153	0.076	0.503
Rpim	0.079	0.039	0.258
Total number of observations	176448
Number of reflections	48151	4763	4830
<I/σ(I)>	3.1
Completeness [%]	94.3	93.1	95.1
Redundancy	3.7	3.7	3.6
CC(1/2)		0.994	0.862

Crystallization Conditions

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