8WND
Crystal structure of Saccharomyces cerevisiae isoleucyl-tRNA synthetase in complex with tRNA(Ile) and isoleucine
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 | 2020-11-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.428, 173.521, 171.803 |
| Unit cell angles | 90.00, 91.16, 90.00 |
Refinement procedure
| Resolution | 48.730 - 2.800 |
| R-factor | 0.23171 |
| Rwork | 0.230 |
| R-free | 0.26793 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.187 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.730 | 2.860 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.077 | 0.607 |
| Rmeas | 0.091 | 0.718 |
| Rpim | 0.049 | 0.379 |
| Total number of observations | 15467 | |
| Number of reflections | 75496 | 4447 |
| <I/σ(I)> | 12.1 | 2.2 |
| Completeness [%] | 98.3 | |
| Redundancy | 3.3 | 3.5 |
| CC(1/2) | 0.997 | 0.771 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 281 | 0.2 M ammonium sulfate, 0.1 M BIS-TRIS pH5.5, 25% PEG3350, 0.06 M sodium citrate |
