Table 1.
Diffraction data and refinement statistics.
| mDio2cat | |
|---|---|
| Diffraction data | |
| Resolution (Å) a | 34.85–1.09 (1.13–1.09) |
| Space group | P32 |
| Unit cell dimensions a, b, c (Å) | 47.8, 47.8, 64.7 |
| Unique reflections measured a | 65565 (4435) |
| Multiplicity a | 5.4 (3.6) |
| Completeness (%) a | 94.85 (64.6) |
| Mean I/sigma(I) a | 9.45 (0.4) |
| Wilson B-factor | 14.23 |
| Rmeas a | 0.077 (2.391) |
| CC1/2 a | 0.999 (0.117) |
| Refinement | |
| Resolution (Å) a | 34.85–1.09 (1.13–1.09) |
| No. reflections a | 65,556 (4435) |
| Rwork/Rfree (%) b | 14.5/16.9 |
| No. non-hydrogen atoms | 1657 |
| Protein | 1465 |
| Solvent | 192 |
| RMS deviations | |
| bond lengths (Å) | 0.015 |
| bond angles (°) | 1.5 |
| Molprobity clash score | 1.73 |
| Average B-factor (Å2) | 21.2 |
| Protein | 19.6 |
| Solvent | 33.6 |
a Highest-resolution shell is shown in parentheses. b For Rfree calculations, 2098 reflections were used.