8POT
Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole cmpd9 in the editing conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-31 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.167, 76.794, 90.863 |
| Unit cell angles | 90.00, 102.55, 90.00 |
Refinement procedure
| Resolution | 58.060 - 2.149 |
| R-factor | 0.2166 |
| Rwork | 0.214 |
| R-free | 0.26520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.850 |
| Data reduction software | autoPROC (1.0.5) |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.056 | 2.374 |
| High resolution limit [Å] | 2.149 | 2.149 |
| Rpim | 0.062 | 0.503 |
| Number of reflections | 44722 | 2236 |
| <I/σ(I)> | 7.1 | 1.6 |
| Completeness [%] | 91.2 | 58.4 |
| Redundancy | 4.5 | 4.5 |
| CC(1/2) | 0.962 | 0.654 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.1 M sodium acetate pH5.6, 0.2 M NaCl, 20% PEG6000 |
