1W2X
Crystal structure of the carboxyltransferase domain of acetyl- coenzyme A carboxylase in complex with CP-640186
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Collection date | 2003-11-15 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 246.590, 124.600, 145.600 |
| Unit cell angles | 90.00, 93.85, 90.00 |
Refinement procedure
| Resolution | 29.660 - 2.800 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.23400 |
| Structure solution method | OTHER |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.060 | 0.230 |
| Number of reflections | 238996 | |
| <I/σ(I)> | 15 | 3 |
| Completeness [%] | 92.3 | 72 |
| Redundancy | 2.5 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | pH 5.50 |
