7O66
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 60 minutes showing either a dioxygen or a superoxide anion coordinated to iron ions in the ferroxidase site
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97622 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 183.830, 183.830, 183.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.990 - 1.600 |
| R-factor | 0.1565 |
| Rwork | 0.155 |
| R-free | 0.17910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r03 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.548 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 64.990 | 2.110 | 1.690 |
| High resolution limit [Å] | 1.600 | 2.000 | 1.600 |
| Rmerge | 0.107 | 0.871 | 0.839 |
| Rmeas | 0.111 | 0.940 | 0.876 |
| Rpim | 0.024 | 0.258 | 0.188 |
| Number of reflections | 35601 | 2517 | 5085 |
| <I/σ(I)> | 15.4 | 2.7 | 3.7 |
| Completeness [%] | 100.0 | 96.2 | 99.9 |
| Redundancy | 21.3 | 12.6 | 21.4 |
| CC(1/2) | 0.999 | 0.794 | 0.904 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 281.15 | 1.6-2 M MgCl2 6H2O and 0.1 M bicine pH 9.0 | |
| 1 | VAPOR DIFFUSION, HANGING DROP | 281.15 | 1.6-2 M MgCl2 6H2O and 0.1 M bicine pH 9.0 | |
| 1 | VAPOR DIFFUSION, HANGING DROP | 281.15 | 1.6-2 M MgCl2 6H2O and 0.1 M bicine pH 9.0 |
