7ZOG

Crystal structure of Cryptosporidium parvum -Plasmodium falciparum mutant lysyl tRNA synthetase in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97628
Spacegroup name	P 1 21 1
Unit cell lengths	73.103, 118.732, 143.454
Unit cell angles	90.00, 90.69, 90.00

Refinement procedure

Resolution	64.900 - 1.800
R-factor	0.183
Rwork	0.182
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hcw
RMSD bond length	0.009
RMSD bond angle	1.452
Data reduction software	DIALS (3.4.3-1)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.900	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.084	0.991
Rpim	0.055	0.616
Number of reflections	226134	11209
<I/σ(I)>	11	1.7
Completeness [%]	100.0	100
Redundancy	6.5	7
CC(1/2)	0.997	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	300	Reservoir: 0.1 M tris, pH 7.8, 0.2 M lithium sulfate, 25% PEG 3350