4TKV
CO-bound Nitrogenase MoFe-protein from A. vinelandii
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 | 2014-03-06 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.99987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.172, 130.623, 106.996 |
| Unit cell angles | 90.00, 110.65, 90.00 |
Refinement procedure
| Resolution | 38.740 - 1.500 |
| R-factor | 0.13855 |
| Rwork | 0.138 |
| R-free | 0.15430 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.717 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.740 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 326010 | |
| <I/σ(I)> | 13.8 | 1.7 |
| Completeness [%] | 98.2 | 98 |
| Redundancy | 6.9 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | PEG4000, NaCl, imidazole/malate, Glycerol, sodium dithionite |
