4AS1
Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole AN2679 in the editing conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-07 |
| Detector | ADSC QUANTUM Q120 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.680, 77.110, 91.140 |
| Unit cell angles | 90.00, 102.24, 90.00 |
Refinement procedure
| Resolution | 19.850 - 2.020 |
| R-factor | 0.21007 |
| Rwork | 0.208 |
| R-free | 0.24922 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h3n |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.641 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0116) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.070 | 0.690 |
| Number of reflections | 78307 | |
| <I/σ(I)> | 14.2 | 1.6 |
| Completeness [%] | 98.2 | 84.5 |
| Redundancy | 3.65 | 2.81 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | THE TERNARY COMPLEX ECLEURS-TRNA-AN2679 WAS CRYSTALLIZED FROM 0.1 M SODIUM ACETATE (PH 5.6), 14-18% (W/V) PEG 6000 AND 20 MM NACL. THE CRYSTALS WERE FROZEN IN LIQUID NITROGEN USING 22% (V/V) ETHYLENE GLYCOL AS CRYOPROTECTANT |
