8E3V
Cobalt-reconstituted nitrogenase MoFeP mutant S188A from Azotobacter vinelandii after IDS oxidation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.60388, 1.61223 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.127, 130.039, 107.760 |
| Unit cell angles | 90.00, 109.12, 90.00 |
Refinement procedure
| Resolution | 80.170 - 2.000 |
| R-factor | 0.1844 |
| Rwork | 0.182 |
| R-free | 0.20840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2min |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.051 |
| Data reduction software | iMOSFLM |
| Data scaling software | pointless |
| Phasing software | PHENIX (1.19.1-4122) |
| Refinement software | PHENIX (1.19.1-4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.170 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.134 | 0.635 |
| Number of reflections | 127562 | 6261 |
| <I/σ(I)> | 8.9 | 2.6 |
| Completeness [%] | 94.4 | 93 |
| Redundancy | 6.3 | 6 |
| CC(1/2) | 0.993 | 0.725 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.75 | 293 | 20% PEG 8000, 100 mM Tris pH 7.75, 500 mM NaCl, 10 mM dithionite |
