TABLE 1.
Data collection and refinement statistics for ULD-CUTL structure
| Crystal name | ULD-CUTL |
|---|---|
| Space group | C 1 2 1 |
| Unit cell (Å) | a = 128.98, b = 91.97, c = 100.24 |
| α = γ = 90°, β = 128.97° | |
| Wavelength (Å) | 0.9791 |
| Resolution range (Å) | 42.5-2.60 (2.69-2.60)a |
| No. of unique reflections | 27,709 |
| Redundancy | 3.7 (3.4)a |
| Rsym (%)b | 7.7 (58.0)a |
| I/σ | 16.1 (1.9)a |
| Completeness (%) | 99.2 (94.8)a |
| Refinement | |
| Rcrystal (%)c | 22.8 |
| Rfree (%)d | 27.1 |
| RMSD bond (Å)e | 0.009 |
| RMSD angle (°) | 1.3 |
| Number of protein atoms | 4,025 |
| Number of ligand atoms | 0 |
| Number of solvent atoms | 13 |
| Residues (%) | |
| Most favored | 87.2 |
| Additional allowed | 11.5 |
| Generously allowed | 1.3 |
| Disallowed | 0 |
| Average B factor (Å2) | |
| Chain a | 66.2 |
| Chain b | 61.3 |
| Chain c | 68.6 |
| Chain d | 71.4 |
| Solvent | 67.1 |
a The highest resolution shell.
b Rsym = Σj|<I> − Ij|/Σ<I>.
c Rcryst = Σhkl|Fobs − Fcalc|/ΣhklFobs.
d Rfree, calculated the same as Rcrystal but from a test set containing 5% of data excluded from the refinement calculation.
e RMSD, root mean square deviation.