6OTJ

Crystal Structure of Tyrosyl-tRNA synthetase from Neisseria gonorrhoeae with bound L-Tyr

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	2018-07-05
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 43 21 2
Unit cell lengths	121.730, 121.730, 301.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.879 - 2.850
R-factor	0.1973
Rwork	0.196
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oud
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX ((1.15.2_3472))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.879	47.879	2.920
High resolution limit [Å]	2.850	12.750	2.850
Rmerge	0.069	0.022	0.581
Rmeas	0.078	0.026	0.669
Total number of observations	219900
Number of reflections	52573	592	3919
<I/σ(I)>	15.99	49.73	2.41
Completeness [%]	97.5	81.4	99.7
Redundancy	4.183	3.85	4.169
CC(1/2)	0.998	0.999	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	287	NegoA.01032.a.B1.PW37921 at 26 mg/ml was incubated with 4 mM L-Tyr, then was mixed 1:1 with NegoTyrRSv1(d3): 270 mM HEPES free acid/ NaOH, pH = 7.6, 1700 mM ammonium sulfate, cryo: 20% ethylene glycol. Tray: 301932d3, puck: nky3-3