3K8X
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with tepraloxydim
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-01 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 247.303, 124.797, 145.369 |
Unit cell angles | 90.00, 94.32, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.300 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.22100 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.535 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.082 | 0.414 |
Number of reflections | 190725 | |
<I/σ(I)> | 1.8 | 2.8 |
Completeness [%] | 99.2 | 97.5 |
Redundancy | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 276 | 0.1 M sodium citrate pH 5.5, 8% (w/v) PEG 8000, 10% (v/v) glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 276K |