Table 3.
X-ray crystallography data collection and refinement statistics for ceCblC
Values in parentheses are for the highest-resolution shell.
| Parameter | Value |
|---|---|
| Data collection | |
| Space group | P212121 |
| Cell dimensions | |
| a, b, c (Å) | 53.0, 66.1, 92.9 |
| α, β, γ (degrees) | 90, 90, 90 |
| Wavelength (Å) | 1.033 |
| Resolution (Å) | 46.0–1.35 (1.37–1.35) |
| Rmeas (%) | 5.8 (59.1) |
| I/σI | 15 (1.9) |
| CC½ | 0.997 (0.618) |
| Completeness (%) | 92.9 (58.7) |
| Redundancy | 3.8 (2.3) |
| Refinement | |
| Resolution (Å) | 53.8–1.35 |
| No. of reflections | 63,476 |
| Rwork/Rfree | 0.132/0.163 |
| No. of atoms | |
| Protein | 4445 |
| Water | 273 |
| Methylcobalamin | 179 |
| B-factors | |
| Protein | 17.5 |
| Water | 28.1 |
| Methylcobalamin | 11.1 |
| Root mean square deviations | |
| Bond lengths (Å) | 0.015 |
| Bond angles (degrees) | 2.013 |
| Ramachandran plot (%) | |
| Favored/allowed/outliers | 98.92/1.08/0.00 |
| MolProbity score | 1.01 (99th percentile) |
| Protein Data Bank code | 5UJC |