6BQY

Crystal Structure of Tyrosine-tRNA Synthetase from Acinetobacter baumannii

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	53.370, 56.620, 64.070
Unit cell angles	87.95, 113.85, 109.52

Refinement procedure

Resolution	31.159 - 2.100
R-factor	0.1901
Rwork	0.188
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hse
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MR-Rosetta
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.159	31.159	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.047	0.031	0.599
Rmeas	0.055	0.037	0.692
Total number of observations	143863
Number of reflections	36717	393	2668
<I/σ(I)>	12.85	32.8	2.35
Completeness [%]	97.8	94.5	96.7
Redundancy	3.918	3.491	3.983
CC(1/2)	0.999	0.998	0.939

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, 1:1 with MCSG1(g1) (0.1 M HEPES:NaOH, pH 7.5, 10% w/v PEG8000, 8% v/v ethylene glycol), cryoprotectant: 20% ethylene glycol, Tray: 291063g1, puck: ikf2-10