TABLE 1.
Data collection and refinement statistics
| UDC0a | UDC1a | UDC2a | |
|---|---|---|---|
| Data collection | |||
| Space group | I4122 | I4122 | I4122 |
| Cell dimensions | |||
| a, b, c (Å) | 139.7, 139.7, 95.3 | 139.9, 139.9, 91.1 | 140.3, 140.3, 94.8 |
| α, β, γ (°) | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 |
| Resolution (Å) | 50.0-2.8 (2.9-2.8) | 50.0-2.8 (2.9-2.8) | 50.0-2.9 (3.0-2.9) |
| Rsymb (%) | 5.8 (45.6) | 6.5 (48.3) | 8.5 (43.5) |
| I/σI | 22.9 (3.3) | 27.4 (2.9) | 32.6 (4.4) |
| Completeness (%) | 99.5 (100.0) | 95.8 (96.9) | 99.8 (100.0) |
| Refinement | |||
| Resolution (Å) | 50.0-2.80 | 50.0-2.8 | 50.0-2.9 |
| No. reflections | 21,391 | 19,529 | 19,097 |
| Rworkc/Rfreed (%) | 21.5/26.9 | 20.5/25.7 | 22.7/26.9 |
| No. atoms | 2622 | 2701 | 2719 |
| r.m.s.e deviations | |||
| Bond lengths (Å) | 0.006 | 0.007 | 0.006 |
| Bond angles (°) | 1.017 | 1.047 | 1.044 |
| Ramachandran statistics | |||
| Favored (%) | 93.4 | 93.7 | 92.7 |
| Allowed (%) | 5.9 | 5.6 | 6.6 |
| Outlier (%) | 0.7 | 0.7 | 0.7 |
a Data were collected from a single crystal. Values in parentheses are for the highest resolution shell.
b Rsym = Σ|I − 〈I〉|/ΣI, where I is the integrated intensity of a given reflection.
c Rwork = Σ|F(obs) − F(calc) |/ΣF(obs), where F(obs) and F(calc) are the observed and calculated structure factor amplitudes, respectively.
d Rfree = Σ|F(obs) − F(calc) |/ΣF(obs), calculated using 5% of the data omitted from the refinement.
e r.m.s., root mean square.