3H0S
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-01-16 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 246.716, 121.678, 145.991 |
| Unit cell angles | 90.00, 94.23, 90.00 |
Refinement procedure
| Resolution | 40.700 - 2.430 |
| R-factor | 0.166 |
| Rwork | 0.160 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w2x |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.993 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.700 | 50.000 | 2.520 |
| High resolution limit [Å] | 2.430 | 5.230 | 2.430 |
| Rmerge | 0.065 | 0.022 | 0.614 |
| Number of reflections | 159230 | ||
| <I/σ(I)> | 21.112 | ||
| Completeness [%] | 98.3 | 99.8 | 91.9 |
| Redundancy | 3.5 | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 298 | 0.1 M Na citrate ,pH 5.5, 200 mM NaCl, 8% PEG8000, 10% glycerol, vapor diffusion, temperature 298K |
