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 |