TABLE 1.
Statistics for x-ray data collection and model refinement
| Frog M ferritin variant |
|||
|---|---|---|---|
| R72D | D122R | L134P | |
| Data collection | |||
| Wavelength (Å) | 1.11587 | 1.11587 | 1.11587 |
| Space group | F432 | F432 | F432 |
| Unit cell edge (a = b = c) (Å) | 183.560 | 183.434 | 183.775 |
| Resolution range (Å) | 1.65-106.00 | 1.45-91.67 | 1.35-64.96 |
| (1.65-1.74)a | (1.45-1.53) | (1.35-1.42) | |
| No. of unique reflections | 32,417 | 47,217 | 58,567 |
| Completeness (%) | 100 (100) | 100 (100) | 100 (100) |
| Multiplicity | 20.1 | 17.3 | 13.1 |
| Rmerge | 0.102 (1.187) | 0.088 (1.006) | 0.071 (0.807) |
| I/σ | 22.6 (2.2) | 20.4 (2.2) | 19.5 (2.3) |
| Refinement parameters | |||
| R | 0.165 | 0.155 | 0.135 |
| Rfree | 0.195 | 0.182 | 0.161 |
| Root mean square deviation from ideal values | |||
| Bond lengths (Å) | 0.034 | 0.032 | 0.030 |
| Bond angles (degrees) | 2.484 | 2.516 | 2.447 |
| No. of atoms | |||
| Solvent (H2O) | 271 | 170 | 228 |
| Mg(II) | 8 | 7 | 10 |
| Cl− | 9 | 3 | 7 |
| Average B values (Å2)b | 20.4 | 18.0 | 15.9 |
a Values in parentheses are for the highest resolution shell.
b For all protein atoms. The average B value for wild-type protein (PDB code 3KA3) is 14.6 Å2.