6Q93
MgADP-bound Fe protein of Vanadium nitrogenase from Azotobacter vinelandii
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 | 2017-05-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 94.573, 176.857, 354.225 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.100 - 2.200 |
| R-factor | 0.201 |
| Rwork | 0.200 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fp6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.120 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.540 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 150174 | |
| <I/σ(I)> | 13.2 | |
| Completeness [%] | 99.9 | |
| Redundancy | 27.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | Tris/HCl buffer, magnesium chloride, ADP, PEG 3350 |
