Table 2. Data-collection and refinement statistics for StCspE.
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 = .