3ZJV
Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3213 in the editing conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-09 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.370, 76.940, 90.710 |
| Unit cell angles | 90.00, 102.37, 90.00 |
Refinement procedure
| Resolution | 88.740 - 2.310 |
| R-factor | 0.20282 |
| Rwork | 0.200 |
| R-free | 0.24747 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h3n |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.458 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0111) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.700 | 2.370 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.060 | 0.580 |
| Number of reflections | 52864 | |
| <I/σ(I)> | 16.8 | 2.5 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.75 | 3.76 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | THE TERNARY COMPLEX ECLEURS-TRNA-AN3213 WAS CRYSTALLIZED FROM 0.1 M SODIUM ACETATE AT PH 5.6, 14-18 % PEG 6000 AND 200 MM NACL. CRYSTALS WERE FROZEN IN LIQUID NITROGEN USING A CRYOPROTECTING SOLUTION CONTAINING 22 % ETHYLENE GLYCOL |
