2C3D
2.15 Angstrom crystal structure of 2-ketopropyl coenzyme M oxidoreductase carboxylase with a coenzyme M disulfide bound at the active site
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 | 87.790, 60.050, 105.630 |
| Unit cell angles | 90.00, 99.91, 90.00 |
Refinement procedure
| Resolution | 37.700 - 2.150 |
| R-factor | 0.203 |
| Rwork | 0.203 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1M09 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.080 | 0.260 |
| Number of reflections | 58516 | |
| <I/σ(I)> | 7.8 | 2.7 |
| Completeness [%] | 97.8 | 99.5 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.17 M SODIUM ACETATE 0.085M TRIS-HCL PH 8.5 25.5% PEG4000 15% GLYCEROL |
