2Z8Y
Xenon-bound structure of bifunctional carbon monoxide dehydrogenase/acetyl-CoA synthase(CODH/ACS) from Moorella thermoacetica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-12-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 |
| Unit cell lengths | 99.540, 136.600, 141.750 |
| Unit cell angles | 101.29, 109.22, 103.91 |
Refinement procedure
| Resolution | 49.000 - 2.510 |
| R-factor | 0.182 |
| Rwork | 0.178 |
| R-free | 0.25000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1mjg |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.284 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 2.600 |
| High resolution limit [Å] | 2.510 | 2.510 |
| Number of reflections | 217468 | |
| <I/σ(I)> | 10.3 | 2 |
| Completeness [%] | 96.1 | 92 |
| Redundancy | 2.1 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 8-10% (w/v) polyethylene glycol monomethyl ether 5000, 20% glycerol, 200mM calcium acetate, 100mM PIPES pH 6.5, 2mM dithiothreitol, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
