3B52
Ni,Fe-CODH-600 mV state + CO2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-05-17 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.520, 74.570, 70.710 |
| Unit cell angles | 90.00, 111.30, 90.00 |
Refinement procedure
| Resolution | 26.670 - 1.500 |
| R-factor | 0.154 |
| Rwork | 0.153 |
| R-free | 0.18200 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.848 |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.700 | 1.600 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.086 | 0.281 |
| Number of reflections | 83938 | 14325 |
| <I/σ(I)> | 9.96 | 4.4 |
| Completeness [%] | 97.1 | 94.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | PEG3350, (NH4)2SO4, Bis-Tris, sodium dithionite, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
