6KBF

Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 3

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	2019-04-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	87.932, 70.822, 101.125
Unit cell angles	90.00, 111.45, 90.00

Refinement procedure

Resolution	43.845 - 1.920
R-factor	0.182
Rwork	0.180
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ycv
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.070	47.070	1.970
High resolution limit [Å]	1.920	8.590	1.920
Rmerge	0.114	0.040	1.313
Number of reflections	87690	1034	5919
<I/σ(I)>	8.7
Completeness [%]	99.2	98.2	91.7
Redundancy	6.6	6.1	5.3

Crystallization Conditions

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