Table 1. Data-collection and refinement statistics for SiaPG.
Values in parentheses are for the highest resolution shell.
| Data collection | |
| Space group | P3121 |
| a, b, c (Å) | 131.16, 131.16, 181.17 |
| α, β, γ (°) | 90, 90, 120 |
| Resolution range (Å) | 56.80–2.10 (2.14–2.10) |
| No. of reflections | 1550917 (57812) |
| No. of unique reflections | 101168 (5048) |
| 〈I/σ(I)〉 | 18.5 (2.4) |
| R r.i.m. † | 0.033 (0.338) |
| Completeness (%) | 96.0 (97.3) |
| CC1/2 | 0.99 (0.68) |
| Average multiplicity | 15.3 (11.5) |
| Wilson B factor (Å2) | 29.8 |
| Structure refinement | |
| Resolution range (Å) | 56.80–2.10 |
| R factor‡ (%)/R free § (%) | 17.3/21.6 |
| No. of protein atoms | 11623 |
| No. of water atoms | 852 |
| R.m.s.d.¶ | |
| Bond lengths (Å) | 0.007 |
| Bond angles (°) | 1.403 |
| Average B factor (Å2) | 34.5 |
| Ramachandran plot†† | |
| Favored regions (%) | 96.0 |
| Allowed regions (%) | 4.0 |
| Outliers (%) | 0 |
| PDB code | 8gn6 |
Estimated R r.i.m. = R merge[N/(N−1)]1/2, where N is the data multiplicity.
R factor =
, where F
obs and F
calc are the observed and calculated structure-factor amplitudes, respectively.
R free was calculated using 5% of the data that were excluded from refinement.
R.m.s.d. from ideal values.
Categories were defined by MolProbity.