7O69
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 5 minutes showing a peroxide anion as bridging species of 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 | 183.873, 183.873, 183.873 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 91.940 - 1.350 |
| R-factor | 0.1353 |
| Rwork | 0.134 |
| R-free | 0.15300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r03 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.320 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 91.940 | 1.900 | 1.420 |
| High resolution limit [Å] | 1.350 | 1.800 | 1.350 |
| Rmerge | 0.087 | 0.302 | 0.598 |
| Rmeas | 0.091 | 0.374 | 0.626 |
| Rpim | 0.020 | 0.166 | 0.136 |
| Number of reflections | 58676 | 3344 | 8406 |
| <I/σ(I)> | 21.6 | 4.3 | 5.3 |
| Completeness [%] | 100.0 | 93.3 | 100 |
| Redundancy | 21.3 | 4.3 | 21 |
| CC(1/2) | 0.999 | 0.886 | 0.949 |
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 |
