7QQA
MgADP-bound Fe protein of the iron-only nitrogenase from Azotobacter vinelandii
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 | 2018-06-16 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 48.677, 80.366, 80.024 |
| Unit cell angles | 68.57, 75.85, 76.03 |
Refinement procedure
| Resolution | 73.480 - 1.790 |
| R-factor | 0.1995 |
| Rwork | 0.197 |
| R-free | 0.24860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6q93 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.501 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.480 | 1.990 |
| High resolution limit [Å] | 1.790 | 1.800 |
| Number of reflections | 67524 | 3377 |
| <I/σ(I)> | 6.9 | |
| Completeness [%] | 90.5 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.997 | 0.710 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.05 M magnesium chloride, 0.1 M HEPES/NaOH pH7.0, PEG 550 |
