6O7N
Nitrogenase MoFeP mutant F99Y/S188A from Azotobacter vinelandii in the indigo carmine oxidized state
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 | 2018-04-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.54975 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.337, 127.960, 107.509 |
| Unit cell angles | 90.00, 109.01, 90.00 |
Refinement procedure
| Resolution | 40.101 - 1.750 |
| R-factor | 0.1902 |
| Rwork | 0.187 |
| R-free | 0.22320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2min |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.141 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.590 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.160 | 1.476 |
| Rmeas | 0.194 | 1.900 |
| Rpim | 0.108 | 1.172 |
| Number of reflections | 177299 | 5134 |
| <I/σ(I)> | 6.5 | 0.8 |
| Completeness [%] | 90.5 | 52.9 |
| Redundancy | 6 | 4.6 |
| CC(1/2) | 0.853 | 0.042 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293 | 18% PEG 8000, 100 mM Tris pH 7.8, 500 mM NaCl, 5 mM indigo carmine |
