8WNI

Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Val

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 1
Unit cell lengths	52.692, 52.857, 103.041
Unit cell angles	92.19, 97.63, 103.82

Refinement procedure

Resolution	51.190 - 1.950
R-factor	0.1675
Rwork	0.166
R-free	0.19320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.648
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.190	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.075	0.409
Number of reflections	74517	6902
<I/σ(I)>	11.1	2.37
Completeness [%]	95.8
Redundancy	3.5
CC(1/2)	0.996	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1 M Hepes, pH 7.5, 2% (v/v) Tacsimate, and 20% (w/v) polyethylene glycol (PEG) 3,350