3CF4
Structure of the CODH component of the M. barkeri ACDS complex
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 123.15 |
| Detector technology | CCD |
| Collection date | 1999-10-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.7413, 1.7398, 1.5498 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 133.291, 81.681, 101.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| Rwork | 0.209 |
| R-free | 0.24800 |
| Structure solution method | MAD |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.000 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.147 | 0.400 |
| Number of reflections | 73338 | |
| <I/σ(I)> | 11.6 | 3.3 |
| Completeness [%] | 97.6 | 98.1 |
| Redundancy | 4.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.2M (NH4)2SO4, 25% PEG 4K, and 0.1M sodium acetate, pH 4.6, vapor diffusion, hanging drop, temperature 298K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.2M (NH4)2SO4, 25% PEG 4K, and 0.1M sodium acetate, pH 4.6, vapor diffusion, hanging drop, temperature 298K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.2M (NH4)2SO4, 25% PEG 4K, and 0.1M sodium acetate, pH 4.6, vapor diffusion, hanging drop, temperature 298K |
