9RGI
X-ray structure of a polyoxidovanadate/human H-ferritin adduct obtained when the protein is treated 6 days with [VIVO(acac)2]
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-11-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 183.280, 183.280, 183.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 91.808 - 1.543 |
| Rwork | 0.176 |
| R-free | 0.19790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.066 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.808 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.169 | |
| Number of reflections | 37529 | 1923 |
| <I/σ(I)> | 22.7 | 0.5 |
| Completeness [%] | 95.6 | 100 |
| Redundancy | 66.6 | 59.3 |
| CC(1/2) | 1.000 | 0.359 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M bicine buffer pH 9.0, 2.0 M magnesium chloride |
