6NRZ

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

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	96.170, 57.520, 139.090
Unit cell angles	90.00, 96.68, 90.00

Refinement procedure

Resolution	49.275 - 2.100
R-factor	0.1608
Rwork	0.160
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a74
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.275	49.275	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.071	0.047	0.597
Rmeas	0.082	0.055	0.683
Total number of observations	373489
Number of reflections	88632	1050	6508
<I/σ(I)>	11.76	25.86	2.35
Completeness [%]	99.8	97.7	99.7
Redundancy	4.214	3.8	4.236
CC(1/2)	0.997	0.995	0.743

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 adenosine, then was mixed 1:1 with MorpheusB6opt1(e12): 11.1% (w/v) PEG 8000, 22.2% (v/v) ethylene glycol, 0.03 M each sodium fluoride, sodium bromide, sodium iodide, 0.1 M MOPE/HEPES-Na, pH=7.5. Tray: 300518e12, puck: ytb8-4. Crystallization of protein from strain UCH-1/proctitis and strain D/UW-3/Cx gave the same data.