6O7R
Nitrogenase MoFeP mutant F99Y, S188A from Azotobacter vinelandii in the dithionite reduced state
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 | 2018-06-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.7388 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.610, 128.810, 107.640 |
| Unit cell angles | 90.00, 109.07, 90.00 |
Refinement procedure
| Resolution | 47.311 - 2.270 |
| R-factor | 0.1681 |
| Rwork | 0.164 |
| R-free | 0.20770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2min |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.791 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.840 | 2.310 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.114 | 0.383 |
| Rmeas | 0.140 | 0.471 |
| Rpim | 0.079 | 0.269 |
| Number of reflections | 82483 | 4590 |
| <I/σ(I)> | 9.7 | 3.8 |
| Completeness [%] | 90.7 | 95.3 |
| Redundancy | 5.8 | 5.6 |
| CC(1/2) | 0.984 | 0.901 |
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 |
