7ADR
CO bound as bridging ligand at the active site of vanadium nitrogenase VFe protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.849205 |
| Spacegroup name | P 1 |
| Unit cell lengths | 75.579, 79.934, 107.223 |
| Unit cell angles | 84.11, 72.42, 75.19 |
Refinement procedure
| Resolution | 48.450 - 1.000 |
| R-factor | 0.1019 |
| Rwork | 0.102 |
| R-free | 0.11690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6fea |
| RMSD bond length | 0.023 |
| RMSD bond angle | 3.154 |
| 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] | 48.450 | 1.020 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Number of reflections | 1101498 | 53745 |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 88.1 | |
| Redundancy | 7.6 | |
| CC(1/2) | 0.998 | 0.592 |
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 |
