Table 1. Data collection and refinement statistics on arrestin R175E*.
Data collection | |
Radiation source | ESRF ID23-1 |
Wavelength (Å) | 0.97902 |
Resolution range (Å) | 41.64 – 2.7 (2.83 – 2.7)** |
Space group | P 21 21 21 |
Cell dimensions | |
a,b,c (Å) | 66.37, 72.31, 79.4 |
Total reflections | 83633 (9579) |
Unique reflections | 10993 (1430) |
Multiplicity | 7.6 (6.7) |
Completeness (%) | 99.92 (99.91) |
〈I/σ(I)〉 | 10.8 (2.5) |
Wilson B-factor (Å2) | 38.6 |
R-merge | 0.217 (0.924) |
R-measured | 0.234 (1.005) |
Refinement | |
Resolution range (Å) | 41.64-2.7 (2.97–2.7)** |
Rwork | 0.1938 (0.2742) |
Rfree | 0.2414 (0.3214) |
No. of atoms | 2677 |
Protein | 2608 |
Protein residues | 343 |
Ligands | 15 |
Solvent | 54 |
R.m.s. deviation from ideal | |
Bonds (Å) | 0.01 |
Angles (°) | 1.01 |
Mean B-factor (Å2) | 44.1 |
Protein | 44.2 |
Ligands | 63.0 |
Solvent | 34.6 |
Ramachandran statistics (%) | |
Favored regions | 98 |
Outliers (%) | 0 |
*Merge of two datasets.
**Values in parentheses are for the highest resolution shell.