9R3G

CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Cryptosporidium parvum / Plasmodium falciparum chimera COMPLEXED WITH L-LYSINE AND INHIBITOR DDD02174286

This is a non-PDB format compatible entry.

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	2020-11-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 2 21 21
Unit cell lengths	72.808, 116.579, 142.991
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.830 - 1.900
Rwork	0.160
R-free	0.18970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.678
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.830	1.949
High resolution limit [Å]	1.900	1.900
Rpim	0.065	0.662
Number of reflections	96515	4715
<I/σ(I)>	12.8	2
Completeness [%]	100.0	99.7
Redundancy	13.7	14
CC(1/2)	0.998	0.685

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	Protein: 30 mg/ml in 25 mM HEPES, 0.5 M NaCl, 5 % glycerol, 2 mM TCEP, pH 7, 5 mM lysine Reservoir: 25% PEG 3350, 0.2 M Li sulfate, 0.1 M tris pH 7.8