Table 1.
Data collection and refinement statistics
| YscQ-C | SeMet YscQ-C (I248M) | |
|---|---|---|
|
Data Collection
| ||
| λ(Å) | 0.96860 | 0.97948 |
|
| ||
| Resolution (Å)a | 34.42-2.25 (2.31-2.25) | 50-2.16 (2.20-2.16) |
|
| ||
| Space group | H32 | H32 |
| Cell dimensions (Å) | a=b=114.1, c=88.6 | a=b=114.2, c=91.5 |
|
| ||
| Unique reflections | 10,594 | 12,457 |
|
| ||
| Avg. multiplicitya | 10.8 (9.8) | 17.7 (3.6) |
|
| ||
| I/σIa | 32.1 (10.5) | 32.4 (2.1) |
|
| ||
| Completeness (%)a | 99.3 (94.2) | 97.4 (76.2) |
|
| ||
| Rmerge (%)a | 4.7 (23.2) | 8.3 (53.9) |
|
| ||
|
Refinement
|
||
| Resolution (Å)a | 34.42-2.25 (2.48-2.25) | |
|
| ||
| Number of reflections | 10,592 | |
|
| ||
| Number of atoms | ||
| Protein | 1,370 | |
| Solvent | 50 | |
|
| ||
| Rwork/Rfree (%)a | 20.2/23.3 (26.6/32.4) | |
|
| ||
| Rms deviation | ||
| Bond lengths (Å) | 0.009 | |
| Angles (°) | 1.244 | |
|
| ||
| Average B factor (Å2) | ||
| Protein | 47.6 | |
| Solvent | 48.5 | |
|
| ||
| Ramachandran (%)b | ||
| Favored | 98.8 | |
| Allowed | 1.2 | |
| Disallowed | 0 | |
a
Highest resolution shell in parenthesis.
b
Structure validation by Molprobity (32).