4YCV

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.28357
Spacegroup name	P 1 21 1
Unit cell lengths	70.632, 112.098, 170.795
Unit cell angles	90.00, 99.30, 90.00

Refinement procedure

Resolution	49.900 - 3.406
R-factor	0.2315
Rwork	0.230
R-free	0.25710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pg3
RMSD bond length	0.007
RMSD bond angle	1.246
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.520
High resolution limit [Å]	3.400	7.320	3.400
Rmerge	0.198	0.054	0.538
Rmeas	0.229	0.062	0.624
Rpim	0.114	0.030	0.312
Total number of observations	134325
Number of reflections	34869
<I/σ(I)>	4.5
Completeness [%]	96.5	99.7	94.5
Redundancy	3.9	4.1	3.7
CC(1/2)		0.997	0.763

Crystallization Conditions

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