8WNG

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

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	2019-11-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 1
Unit cell lengths	52.953, 53.066, 103.084
Unit cell angles	92.69, 97.29, 104.37

Refinement procedure

Resolution	25.670 - 1.920
R-factor	0.1867
Rwork	0.185
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.838
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.670	1.990
High resolution limit [Å]	1.920	1.920
Rmerge	0.008	0.617
Number of reflections	75107	5900
<I/σ(I)>	17.9	2.17
Completeness [%]	91.8
Redundancy	3.6
CC(1/2)	0.993	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2 M di-Ammonium phosphate and 20% (w/v) PEG 3,350