6BQZ

Crystal Structure of Tyrosine-tRNA Synthetase from Acinetobacter baumannii with bound L-Tyrosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1
Unit cell lengths	48.260, 49.800, 73.370
Unit cell angles	87.65, 107.11, 113.86

Refinement procedure

Resolution	29.624 - 2.300
R-factor	0.1844
Rwork	0.180
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bqz
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]	29.624	29.624	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.073	0.039	0.559
Rmeas	0.085	0.046	0.646
Total number of observations	101357
Number of reflections	25961	288	1885
<I/σ(I)>	11.87	25.29	2.93
Completeness [%]	98.2	97	97.1
Redundancy	3.904	3.635	3.971
CC(1/2)	0.997	0.997	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	20.0 mg/mL AcbaC.01032.a.B2.PW38226 in 3 mM L-Tyr, magnesium chloride, AMPPNP, 1:1 with MCSG1(b7) (0.17 M ammonium acetate, 0.085 M sodium citrate:HCl, pH 5.6, 25.5% w/v PEG4000, 15% v/v glycerol), Tray: 291066b7, puck: ikf2-3