TABLE 1.
Data processing and refinement statistics
| Human RAGE12 C-terminally fused to MBP | |||
|---|---|---|---|
| Space group | P21212 | ||
| Cell dimensions (Å) | a = 81.75, b = 89.31, c = 97.99, α = β = γ = 90 | ||
| Asymmetric unit | 1 molecule | ||
| Resolution (Å) | 42-1.49 | ||
| Unique reflections | 114,554 | ||
| I/σIa | 32.9 (3.47) | ||
| Completeness (%)a | 99.3 (99.3) | ||
| Rsym (I)a,b | 0.057 (0.415) | ||
| Refinement | |||
| Resolution (Å) | 42-1.49 | ||
| Number of reflections | 110,785 | ||
| Rfreea,c | 18.41 (23.44) | ||
| Rcrysta,d | 16.84 (21.09) | ||
| R.m.s deviation | |||
| Bond length (Å) | 0.006 | ||
| Bond angle (°) | 1.047 | ||
| B-factor, average (Å2) | 19.36 | ||
| Number of atoms | |||
| Protein | 4464 | ||
| Water | 985 | ||
| Other (1 maltotriose and 1 sulfate ion) | 39 | ||
| Ramachandran statistics | MolProbity statistics | ||
| Residues in, (%) | MolProbity score | 1.26, 96th % | |
| Most favored regions | 98.1 | Poor rotamers | 0.21% |
| Additionally allowed regions | 1.7 | Bad bonds | 0 |
| Generously allowed regions | 0.2 | Bad angles | 0 |
| Disallowed regions | 0.0 | Cβ deviations | 0 |
| Clashscore | 4.9, 92nd % | ||
a Parentheses refer to statistics for the highest resolution shell.
b Rsym = ΣhklΣi|Ii(hkl)−I(hkl)|/ΣhklΣiIi(hkl).
c Rfree is calculated with removal of 1.8% of the data as the test set at the beginning of refinement.
d Rcryst=Σhkl||Fobs(hkl)|−|Fcalc(hkl)||/Σhkl|Fobs(hkl)|.