Table 1.
X-ray data collection and refinement parameters for GBS CAMP factor
Values in parentheses correspond to the highest-resolution shell.
| Data collection | |
| Space group | P21212 |
| Unit cell parameters | |
| a, b, c (Å) | 90.9, 116.0, 72.8 |
| α, β, γ (°) | 90, 90, 90 |
| Resolution (Å) | 50–2.45 (2.60–2.45) |
| No. of reflections (total/unique) | 152,348/28,921 |
| Redundancy | 5.2 (5.2) |
| Completeness (%) | 99.6 (99.0) |
| I/σ(I) | 20.4 (2.3) |
| Rmeasa | 0.060 (0.841) |
| CC(1/2) | 0.999 (0.784) |
| Refinement | |
| Resolution (Å) | 50–2.45 |
| No. of protein atoms | 4956 |
| No. of solvent/hetero-atoms | 35/28 |
| RMSD bond lengths (Å) | 0.002 |
| RMSD bond angles (degrees) | 0.44 |
| Rwork (%)b | 23.4 |
| Rfree (%)c | 28.5 |
| Wilson B-factor | 52.5 |
| Ramachandran plot (favored/disallowed)d | 95.6/0 |
| PDB code | 5H6I |
a Rmeas = Σh(n/n − 1)½ Σi |Ii(h) − 〈I(h)〉|/ΣhΣiIi(h), where Ii(h) and 〈I(h)〉 are the ith and the mean measurement, respectively, of the intensity of reflection h.
b Rwork = Σh‖Fo (h)| − |Fc (h)‖/Σh|Fo (h) , where Fo (h) and Fc (h) are the observed and calculated structure factors, respectively. No I/σ cutoff was applied.
c Rfree is the R value obtained for a test set of reflections consisting of a randomly selected 10% subset of the data set excluded from refinement.
d Values from the MolProbity server at http://molprobity.biochem.duke.edu/ (49). Please note that the JBC is not responsible for the long-term archiving and maintenance of this site or any other third party hosted site.