TABLE 1.
Data collection and refinement statistics of SrfJ
| Statistics | Resulta |
|---|---|
| Data collection | |
| Space group | C2221 |
| Cell dimensions (Å) | a = 92.6, b = 162.3, c = 169.6 |
| Resolution (Å) | 30.0-1.7 |
| Rsymb | 8.1 (38.3) |
| I/σ(I) | 19.3 (1.7) |
| Completeness (%) | 90.2 (45.9) |
| Redundancy | 2.7 |
| Structure refinement | |
| Resolution (Å) | 30.0-1.8 |
| No. of reflections | 117,878 |
| Rworkc/Rfree | 19.9/21.5 |
| No. of atoms | |
| Protein | 7,136 |
| Water | 364 |
| No. of molecules | |
| Glycerol | 4 |
| PO4 | 4 |
| RMS deviationsd | |
| Bond lengths (Å) | 0.0053 |
| Bond angles (°) | 1.3627 |
| B factor (Å2) | 27.01 |
a
The values in parentheses are statistics from the highest resolution shell.
b
Rsym = Σ |Iobs − Iavg|/Iobs, where Iobs is the observed intensity of individual reflection and Iavg is average over symmetry equivalents.
c
Rwork = Σ ||Fo| − |Fc||/Σ |Fo|, where |Fo| and |Fc| are the observed and calculated structure factor amplitudes, respectively. Rfree was calculated with 5% of the data.
d
RMS, root mean square.