Table 2. Data-collection and refinement statistics for StCspE.
Values in parentheses are for the outermost resolution shell.
| Data statistics | |
| Space group | P21 |
| Unit-cell parameters | |
| a () | 29.40 |
| b () | 46.80 |
| c () | 46.72 |
| () | 90.0 |
| () | 103.4 |
| () | 90.0 |
| Resolution range () | 45.361.10 (1.161.10) |
| Molecules per ASU | 2 |
| Observed reflections | 260904 (27528) |
| Unique reflections | 47339 (7261) |
| I/(I) | 15.7 (2.5) |
| Completeness (%) | 99.82 (100) |
| Multiplicity | 5.2 (3.8) |
| R merge † | 4.7 (38.9) |
| Refinement statistics | |
| R factor† (%) | 20.33 |
| R free ‡ (%) | 23.42 |
| No. of protein atoms | 1073 |
| No. of water molecules | 100 |
| Mean B factor for protein (2) | 18.86 |
| R.m.s. deviations from ideal geometry | |
| Bond distance () | 0.02 |
| Bond angle () | 1.94 |
| Ramachandran statistics | |
| Most favoured regions (%) | 99.25 [138/140] |
| Additional allowed regions (%) | 0.75 [2/140] |
| Residues in disallowed regions (%) | 0 |
R
merge =
.
R factor and R
free =
.