6BYQ

Crystal structure of Tyrosine-tRNA ligase from Helicobacter pylori G27

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	2017-11-27
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	C 1 2 1
Unit cell lengths	121.400, 43.360, 113.700
Unit cell angles	90.00, 121.21, 90.00

Refinement procedure

Resolution	40.011 - 2.200
R-factor	0.1805
Rwork	0.178
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h3f as per MorDa TARGET IDENTIFIED WITH SIMBAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (dev_2947)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.011	40.011	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.049	0.020	0.498
Rmeas	0.056	0.023	0.578
Number of reflections	25454	319	1637
<I/σ(I)>	18.03	48.41	2.6
Completeness [%]	97.1	94.7	84.8
Redundancy	4.17	3.583	3.737
CC(1/2)	0.999	0.999	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	Molecular Dimensions Morpheus screen D11: 10% w/V PEG 4000, 20% V/V glycerol, 0.02 M each 1,6-hexanediol, 1-butanol, (RS)-1,2- propanediol, M 2-propanol, 1,4-butanediol, 1,3-propanediol: 100mM Bicine/Tris base pH 8.5: HepyC.00630.a.B1/HepyC.01032.a.B1.PS38283 at 18.5mg/ml: cryo: direct: tray 292683 d11: puck xoe2-4