Table 1.
Data collection and refinement statistics for MINERVAΔC crystal structure.
| PDB Entry | 7CTP |
|---|---|
| Diffraction source | SPring-8 BL44XU |
| Wavelength (Å) | 1.0000 |
| Temperature (K) | 100 |
| Space group | P2 1 2 1 2 1 |
| a, b, c (Å) | 55.559, 56.283, 201.01 |
| α, β, γ (°) | 90, 90, 90 |
| Resolution range (Å) a | 49.11–1.80 (1.86–1.80) |
| Total No. of reflections a | 443,604 (43,898) |
| No. of unique reflections a | 59,470 (5838) |
| Completeness (%) a | 99.98 (99.98) |
| Redundancy a | 7.5 (7.5) |
| 〈I/σ(I)〉 a | 18.24 (2.24) |
| R meas a | 0.063 (0.825) |
| R pim a | 0.023 (0.299) |
| CC1/2 a | 0.999 (0.799) |
| Overall B factor from Wilson plot (Å2) | 30.86 |
| No. of reflections, working set a | 59,467 (5838) |
| No. of reflections, test set a | 2925 (256) |
| Final Rwork b | 0.2038 |
| Final Rfree b | 0.2355 |
| No. of non-H atoms | 4806 |
| Protein | 4519 |
| Glycerol | 18 |
| Water | 269 |
| Root-mean-square deviations | |
| Bonds (Å) | 0.007 |
| Angles (°) | 1.08 |
| Average B factors (Å2) | 37.41 |
| Protein | 37.33 |
| Glycerol | 45.58 |
| Water | 37.33 |
| Ramachandran plot c | |
| Favored (%) | 99.45 |
| Allowed (%) | 0.55 |
a Values in parentheses refer to the highest resolution shell. b Rwork = Σ||Fobs| − |Fcalc||/Σ|Fobs|, where Rfree is calculated for a randomly chosen 5% of reflections, which were not used for structure refinement and Rwork is calculated for the remaining reflections. c Values obtained using MolProbity.