8WNJ

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

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	52.783, 52.912, 103.054
Unit cell angles	92.41, 97.37, 104.35

Refinement procedure

Resolution	25.600 - 1.780
R-factor	0.1869
Rwork	0.185
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.898
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]	30.000	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.068	0.455
Number of reflections	98002	4648
<I/σ(I)>	18.2	2.4
Completeness [%]	93.7
Redundancy	3.6
CC(1/2)	0.991	0.814

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