3Q6J
Structural basis for carbon dioxide binding by 2-ketopropyl coenzyme M Oxidoreductase/Carboxylase
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 | IMAGE PLATE |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.466, 59.803, 105.463 |
| Unit cell angles | 90.00, 102.28, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.920 |
| R-factor | 0.167 |
| Rwork | 0.164 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mo9 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.453 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.930 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.093 | |
| Number of reflections | 83625 | |
| <I/σ(I)> | 5.5 | |
| Completeness [%] | 95.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 294 | 0.17 M SODIUM ACETATE, 0.085 M TRIS-HCL, 25.5% PEG4000, 15% GLYCEROL, VAPOR DIFFUSION, HANGING DROP, temperature 294K, pH 6.5 |
