9WQS
Crystal structure of Saccharomyces cerevisiae isoleucyl-tRNA synthetase in complex with reveromycin A and isoleucine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97852 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 171.079, 64.441, 141.718 |
| Unit cell angles | 90.00, 107.81, 90.00 |
Refinement procedure
| Resolution | 45.770 - 2.700 |
| R-factor | 0.20438 |
| Rwork | 0.202 |
| R-free | 0.24228 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.274 |
| 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] | 50.000 | 2.820 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.088 | 0.385 |
| Rmeas | 0.121 | 0.525 |
| Rpim | 0.083 | 0.355 |
| Number of reflections | 37560 | 4856 |
| <I/σ(I)> | 9.5 | 3.5 |
| Completeness [%] | 92.2 | 98.5 |
| Redundancy | 3.2 | 3.1 |
| CC(1/2) | 0.991 | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 281 | 0.2 M ammonium sulfate, 0.1 M BIS-Tris pH 7.0 and 20% PEG3350 |
