Table I. Data collection and refinement statistics.
| Parameter | OsCesA8 P-CR (399–523) SeMet (PDB code 5JNP) |
|---|---|
| Data collection | |
| Location | Advanced Photon Source 23-ID-B |
| Energy (Å) | 0.9794 |
| Space group | F23 |
| Cell dimensions | |
| a = b = c (Å) | 150.8 |
| α = β = γ (°) | 90 |
| Resolution (Å) | 45.47–2.40 |
| No. of reflections | 505,517 |
| No. of unique reflections | 21,575 |
| No. of Rfree reflections | 1,118 |
| CC1/2 | 96.3 (79.7) |
| I/σ | 101.4 (2.4) |
| Completeness (%) | 99.9 (100) |
| Redundancy | 45.2 (45.5) |
| Refinement | |
| Total no. of atoms (average B) | 1,366 (86.03) |
| No. of protein atoms (average B) | 1,310 (85.06) |
| No. of waters (average B) | 8 (85.52) |
| No. of ligand/ion atoms (average B) | 48 (113.17) |
| Rwork/Rfree | 0.240/0.272 |
| Root-mean-square deviation for bonds (Å) | 0.009 |
| Root-mean-square deviation for angles (°) | 1.24 |
| MolProbity overall score | 1.16 (100th percentilea) |
| Rotamer outliers | 0% (0) |
| Ramachandran | |
| Preferred | 100% (150) |
| Generous | 0% (0) |
| Disallowed | 0% (0) |
a
The 100th percentile is the best among structures of comparable resolution; the 0th percentile is the worst.