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 |
