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 |