7O68
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 120 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 I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97950 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 183.787, 183.787, 183.787 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.980 - 1.680 |
| R-factor | 0.1587 |
| Rwork | 0.158 |
| R-free | 0.18310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r03 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.589 |
| 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] | 64.980 | 2.160 | 1.770 |
| High resolution limit [Å] | 1.680 | 2.060 | 1.680 |
| Rmerge | 0.114 | 0.902 | 0.711 |
| Rmeas | 0.119 | 0.973 | 0.741 |
| Rpim | 0.026 | 0.283 | 0.159 |
| Number of reflections | 30852 | 2442 | 4406 |
| <I/σ(I)> | 17.9 | 2.8 | 4.5 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 21.3 | 11.6 | 21.4 |
| CC(1/2) | 0.998 | 0.759 | 0.934 |
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 |
