6NS0

Crystal Structure of Lysyl-tRNA Synthetase from Chlamydia trachomatis complexed with L-lysine and Cladosporin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-05-31
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	96.580, 57.510, 139.550
Unit cell angles	90.00, 97.00, 90.00

Refinement procedure

Resolution	49.316 - 2.200
R-factor	0.1652
Rwork	0.164
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a74
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]	49.316	49.316	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.064	0.033	0.577
Rmeas	0.074	0.040	0.672
Total number of observations	294420
Number of reflections	77679	928	5670
<I/σ(I)>	13.15	31.93	2.35
Completeness [%]	99.8	97.5	99.8
Redundancy	3.79	3.351	3.81
CC(1/2)	0.998	0.997	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	287	ChtrA.00612.a.B1.PW38393 at 25.76 mg/ml was incubated with 3 mM l-lysine, 3 mM cladosporin, then was mixed 1:1 MorpheusB6opt1(e11): 10.96% (w/v) PEG 8000, 21.92% (v/v) ethylene glycol, 0.03 M each sodium fluoride, sodium bromide, sodium iodide, 0.1 M MOPE/HEPES-Na, pH=7.5. Tray: 300519e11, puck: ytb8-10. Crystallization of protein from strain UCH-1/proctitis and strain D/UW-3/Cx gave the same data.