7BI7
An Unexpected P-Cluster like Intermediate En Route to the Nitrogenase FeMo-co
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.71915 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 121.870, 77.640, 90.800 |
| Unit cell angles | 90.00, 128.85, 90.00 |
Refinement procedure
| Resolution | 60.840 - 3.000 |
| R-factor | 0.2057 |
| Rwork | 0.202 |
| R-free | 0.23950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6y1x |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.090 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3 (18-SEP-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.710 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rpim | 0.085 | 0.704 |
| Number of reflections | 12056 | 1215 |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 90.7 | 63.6 |
| Redundancy | 4.8 | 3.9 |
| CC(1/2) | 0.992 | 0.581 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 2.4M SODIUM MALONATE (PH7), PH 7.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K |
