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 |