Data collection, phasing, and refinement statistics.
| Native dataset | SeMet dataset | |
|---|---|---|
| Data collection | ||
| Space group | P4322 | P4322 |
| Cell dimensions | ||
| a, b, c (Å) | 92.96, 92.96, 156 | 93.08, 93.08, 155.8 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Wavelength (Å) | 0.972 | 0.972 |
| Resolution (Å)a | 34.65–2.54 (2.61–2.54) | 32.48–2.86 (2.93–2.86) |
| No. unique reflectionsa | 23,299 (1,687) | 16,485 (1,172) |
| Rsym or Rmergea | 0.097 (0.786) | 0.151 (0.869) |
| Average I/Iσa | 30.8 (4.8) | 22.2 (4.5) |
| CC1/2a | 1.000 (0.958) | 0.999 (0.939) |
| Completeness (%)a | 99.8 (99.9) | 99.8 (99.7) |
| Redundancya | 26.1 (27.4) | 25.7 (25.8) |
| Refinement | ||
| Rwork/Rfree | 21.6/24.4 | |
| Ramachandranb | ||
| Allowed | 100% | |
| Favoured | 93.6% | |
| MolProbity Scoreb | 1.60 (99th percentile) | |
| No. atoms | ||
| Protein | 3,495 | |
| Water | 35 | |
| Average B factor (Å2) | 54.8 | |
| R.M.S deviation | ||
| Bond length (Å) | 0.01 | |
| Bond angles (°) | 1.15 |