6O7Q
Nitrogenase MoFeP mutant S188A from Azotobacter vinelandii in the dithionite reduced state after redox cycling
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.7389 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.437, 130.413, 107.751 |
| Unit cell angles | 90.00, 109.09, 90.00 |
Refinement procedure
| Resolution | 48.684 - 2.000 |
| R-factor | 0.1904 |
| Rwork | 0.186 |
| R-free | 0.22940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2min |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.750 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.684 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.213 | 1.099 |
| Rmeas | 0.540 | 1.315 |
| Rpim | 0.137 | 0.713 |
| Number of reflections | 135987 | 6741 |
| <I/σ(I)> | 5.9 | 1.5 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.4 | 6.3 |
| CC(1/2) | 0.985 | 0.709 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 20% PEG 8000, 100 mM Tris pH 8.0, 500 mM NaCl, 10 mM dithionite. Protein was redox cycled with 5 mM indigo carmine and 10 mM dithionite prior to crystallization. |
