1M1Y
Chemical Crosslink of Nitrogenase MoFe Protein and Fe Protein
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 | CCD |
| Collection date | 2001-04-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.005 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 113.267, 214.937, 320.466 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.200 |
| R-factor | 0.279 |
| Rwork | 0.279 |
| R-free | 0.33000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.440 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.290 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.085 | 0.666 * |
| Total number of observations | 225603 * | |
| Number of reflections | 105200 | |
| <I/σ(I)> | 13 | 1.7 |
| Completeness [%] | 81.1 | 70.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 8 | 4 * | PEG 6000, NaCl, Cadaverine, Tris, pH 8.0, LIQUID DIFFUSION, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 33 (mg/ml) | |
| 2 | 1 | 1 | Tris-HCl | 40 (mM) | pH8.0 |
| 3 | 1 | 1 | 200 (mM) | ||
| 4 | 1 | 1 | MPD | 20 (%(v/v)) | |
| 5 | 1 | 1 | 5 (mM) | ||
| 6 | 1 | 2 | Tris-HCl | 75 (mM) | pH8.0 |
| 7 | 1 | 2 | cadaverine HCl | 510 (mM) | |
| 8 | 1 | 2 | PEG6000 | 20.9 (%(w/w)) | |
| 9 | 1 | 2 | 2 (mM) |
