7ADY
CO-removed state of the active site of vanadium nitrogenase VFe protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-14 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.9116 |
| Spacegroup name | P 1 |
| Unit cell lengths | 75.576, 80.027, 107.200 |
| Unit cell angles | 83.99, 72.48, 75.03 |
Refinement procedure
| Resolution | 46.660 - 1.050 |
| R-factor | 0.1208 |
| Rwork | 0.121 |
| R-free | 0.14100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6fea |
| RMSD bond length | 0.022 |
| RMSD bond angle | 3.116 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.660 | 1.070 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Number of reflections | 1016322 | 40988 |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 94.1 | |
| Redundancy | 7 | |
| CC(1/2) | 0.999 | 0.449 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Tris/HCl pH 7.5, magnesium chloride, ethylene glycol, PEG 8000, sodium dithionite |
