6OP2
Selenium incorporated FeMo-cofactor of nitrogenase from azotobacter vinelandii at high concentration of selenium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.761, 130.380, 106.896 |
| Unit cell angles | 90.00, 110.54, 90.00 |
Refinement procedure
| Resolution | 37.810 - 1.900 |
| R-factor | 0.1785 |
| Rwork | 0.177 |
| R-free | 0.21450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u7q |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.695 |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.810 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.116 | 0.288 |
| Rmeas | 0.137 | 0.343 |
| Rpim | 0.072 | 0.183 |
| Total number of observations | 561170 | 28155 |
| Number of reflections | 160550 | 7979 |
| <I/σ(I)> | 6.5 | 3.1 |
| Completeness [%] | 98.7 | 99.1 |
| Redundancy | 3.5 | 3.5 |
| CC(1/2) | 0.941 | 0.485 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 26% v/v PEG6000, 0.75 M sodium chloride, 12.5% v/v MPD, 0.1 M imidazole/malate buffer, pH 8.0, 5 mM Na2S2O4 |
