9TJT
Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole cmpd6 in the pre-activation state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976250 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.230, 77.190, 90.820 |
| Unit cell angles | 90.00, 102.58, 90.00 |
Refinement procedure
| Resolution | 45.480 - 2.870 |
| R-factor | 0.2061 |
| Rwork | 0.204 |
| R-free | 0.24680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.790 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.640 | 2.940 |
| High resolution limit [Å] | 2.870 | 2.870 |
| Rmeas | 0.140 | 0.820 |
| Number of reflections | 27637 | 1909 |
| <I/σ(I)> | 9.63 | 1.96 |
| Completeness [%] | 99.4 | |
| Redundancy | 3.98 | |
| CC(1/2) | 0.990 | 0.640 |
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 |
