2GO4
Crystal structure of Aquifex aeolicus LpxC complexed with TU-514
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2006-02-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | .9124 |
Spacegroup name | P 61 |
Unit cell lengths | 100.729, 100.729, 121.299 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.700 |
Rwork | 0.210 |
R-free | 0.24090 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1P42 (zinc-inhibited LpxC) |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.069 | |
Number of reflections | 17601 | |
<I/σ(I)> | 12.6 | 2.2 |
Completeness [%] | 97.7 | 97.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 100 mM HEPES (pH 7.5), 180 mM NaCl, 14% PEG 3350, 5 mM ZnSO4, VAPOR DIFFUSION, HANGING DROP, temperature 294K |