3ZJU
Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3016 in the editing conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-05 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.720, 120.030, 142.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.21012 |
| Rwork | 0.207 |
| R-free | 0.26066 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h3n |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.390 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0085) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.800 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.090 | 0.530 |
| Number of reflections | 51648 | |
| <I/σ(I)> | 13.1 | 2.4 |
| Completeness [%] | 98.7 | 99.2 |
| Redundancy | 3.33 | 3.43 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 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 |
