3I01
Native structure of bifunctional carbon monoxide dehydrogenase/acetyl-CoA synthase from Moorella thermoacetica, water-bound C-cluster.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-01-22 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.95469 |
| Spacegroup name | P 1 |
| Unit cell lengths | 99.651, 136.870, 140.864 |
| Unit cell angles | 101.26, 109.11, 104.08 |
Refinement procedure
| Resolution | 36.960 - 2.150 |
| R-factor | 0.18902 |
| Rwork | 0.186 |
| R-free | 0.24154 |
| Structure solution method | Rigid body refinement from previously solved structure |
| Starting model (for MR) | 1mjg |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.871 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.960 | 2.210 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 326694 | |
| <I/σ(I)> | 2.3 | |
| Completeness [%] | 92.3 | 90.4 |
| Redundancy | 2.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 298 | 8% PEG MME 5000, 20% glycerol, 200 mM calcium acetate, 100 mM Pipes, pH 6.5, 2 mM dithiothreitol, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
