From: Cofactor-mediated conformational control in the bifunctional kinase/RNase Ire1
Data collection and refinement | Statistics | Subcategory | Value |
---|---|---|---|
Data collection | Cell dimensions | Space group | C222 |
 |  | a, b, c (Å) | 91.67, 580.82, 177.99 |
 |  | α, β, γ (°) | 90, 90, 90 |
 |  | Resolution (Å) | 97-6.60 (6.8-6.60) |
 |  | I/σ(I) | 16.62 (1.09) |
 |  | Rpimb (%) | 4.4 (88.3) |
 |  | Number of reflections | 9402 (766) |
 |  | Completeness (%) | 99.9 (99.9) |
Data refinement | Number of atoms (in one monomer) | Protein | 3399 |
 |  | Resolution (Å) | 97-6.60 |
 | Rigid body (with NCS) | Angles (o) | 0.925 |
 |  | Bonds (Å) | 0.006 |
 |  | Rwork/Rfree | 0.2863/0.3170 |
 | Simulated annealing (with NCS) | t (°K) | 1,000 |
 |  | Angles (°) | 1.197 |
 |  | Bonds (Å) | 0.007 |
 |  | Rwork/Rfree | 0.2731/0.3451 |