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 |