6C86

Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-Lysylsulfamoyl Adenosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033200
Spacegroup name	P 21 21 2
Unit cell lengths	117.030, 142.870, 73.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.860 - 2.150
R-factor	0.1563
Rwork	0.155
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5elo
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.860	46.860	2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.093	0.037	0.570
Rmeas	0.102	0.040	0.622
Total number of observations	440089
Number of reflections	67507	866	4965
<I/σ(I)>	12.64	32.33	3.29
Completeness [%]	100.0	98.9	100
Redundancy	6.519	5.9	6.305
CC(1/2)	0.998	0.999	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.7	290	CrpaA.00612.a.A3.PW37710 @35 mg/ml, protein was incubated with 3 mM L-Lysylsulfamoyl Adenosine, then mixed 1:1 with IndexG5opt(g3): 23.41% (w/v) PEG-3350, 0.2 M lithium sulfate, 0.1 M Tris:HCl/NaOH, pH = 7.7: cryoprotected with 20% ethylene glycol. Puck: yoz9-1, tray: 297540g3