Table 1.
Data collection and refinement statistics.
| MAB_4384 native | Selenium peak | |
|---|---|---|
| Data collection statistics | ||
| Beamline | ESRF-ID30B | ESRF-ID30B |
| Wavelength (Å) | 0.979 | 0.979 |
| Resolution range (Å) | 36.5–1.9 (1.96–1.9) | 47–2.3 (2.38–2.3) |
| Space group | P 1 21 1 | P 1 21 1 |
| Unit cell (Å,°) | 40.8 100.8 56.0 90 105.8 90 | 41.4 99.3 55.7 90 106.9 90 |
| Total reflections | 73028 (7378) | 126590 (12013) |
| Unique reflections | 31705 (3193) | 18983 (1849) |
| Multiplicity | 2.3 (2.3) | 6.7 (6.5) |
| Completeness (%) | 92.1 (93.4) | 98.6 (98.1) |
| Mean I/sigma (I) | 11.09 (1.06) | 11.66 (1.36) |
| Wilson B-factor (Å2) | 33.9 | 46.02 |
| R-meas | 0.06 (0.92) | 0.13 (1.21) |
| CC1/2 | 0.99 (0.51) | 0.97 (0.67) |
| CC∗ | 1 (0.82) | 0.99 (0.89) |
| Data refinement statistics | ||
| Reflections used in refinement | 31695 (3193) | |
| Reflections used for R-free | 2000 (201) | |
| R-work | 0.184 (0.312) | |
| R-free | 0.213 (0.351) | |
| Number of non-H atoms | 3460 | |
| Macromolecules | 3178 | |
| Solvent | 282 | |
| Protein residues | 402 | |
| RMS bonds (Å) | 0.002 | |
| RMS angles (°) | 0.45 | |
| Ramachandran favored (%) | 98.99 | |
| Ramachandran allowed (%) | 1.01 | |
| Ramachandran outliers (%) | 0.00 | |
| Rotamer outliers (%) | 0.95 | |
| Average B-factor (Å2) | 43.6 | |
| Macromolecules | 43.2 | |
| Solvent | 47.6 | |
| PDB accession number | 5OVY | |
The values in parenthesis are for the last resolution shell.