4ARI
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 ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-08-27 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.180, 118.940, 141.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 90.910 - 2.080 |
R-factor | 0.2011 |
Rwork | 0.199 |
R-free | 0.24436 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h3n |
RMSD bond length | 0.011 |
RMSD bond angle | 1.497 |
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 | 2.150 |
High resolution limit [Å] | 2.080 | 2.080 |
Rmerge | 0.060 | 0.370 |
Number of reflections | 74893 | |
<I/σ(I)> | 20.1 | 3.1 |
Completeness [%] | 96.7 | 74.2 |
Redundancy | 3.91 | 2.8 |
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 |