3K1A
Insights into substrate binding at FeMo-cofactor in nitrogenase from the structure of an alpha-70Ile MoFe protein variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-21 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.8900 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.019, 129.458, 107.088 |
| Unit cell angles | 90.00, 109.01, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.230 |
| R-factor | 0.207 |
| Rwork | 0.204 |
| R-free | 0.25433 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2min |
| RMSD bond length | 0.011 |
| RMSD bond angle | 3.226 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Number of reflections | 187881 | |
| <I/σ(I)> | 11.8 | |
| Completeness [%] | 99.9 | |
| Redundancy | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 8 | 298 | 30% PEG 4000, 100mM Tris-HCl pH 8.0, 170-190mM Sodium molybdate and 1mM Dithionite, LIQUID DIFFUSION, temperature 298.0K |
