TABLE I. Summary of Data Collection and Refinement Statistics.
| Crystal Details | ||||
| Unit cell parameters | a = 72.45 Å, b = 86.82, c = 120.90, α,β,γ = 90.0° | |||
| Space group | P212121 | |||
| Protein MW (207 amino acids, SeMet) | 22,819 Daltons | |||
| Protein Molecules per A. U. | 4 | |||
| SeMet per A. U. | 36 | |||
| Data Collection and Reduction | ||||
| Wavelength (Å) | Edge | Peak | Low | Low high resolution scan (no anomalous) |
| 0.97891 | 0.97878 | 0.99187 | 0.99187 | |
| Resolution limit (Å) | 2.35 | 2.30 | 2.30 | 2.00 |
| No. of unique reflections | 60710 | 65235 | 65722 | 52396 |
| % completeness | 99.8 | 86.3 | 99.8 | 100 |
| I/σ | 2.34 | 1.84 | 2.47 | 2.78 |
| % Rmerge* | 11.2 | 10.0 | 6.2 | 7.0 |
| Refinement | ||||
| Resolution range (Å) | 37.4–2.1 | |||
| No. unique reflections | 43, 633 | |||
| % Rwork (% Rfree) | 20.2 (23.5) | |||
| RMSD | Bonds 0.006 Å, angles 1.2° | |||
| No. of protein residues | 765 of 828 | |||
| No. of of other molecules | 627 waters | |||
| Mean B factor (Å2) | 41.49 | |||
*
Rmerge = Σ(|I − I)/ΣI.
A.U., asymmetric unit.