Table 1.
Data collection and refinement statistics
| PDB 6BN1 | |
|---|---|
| Data collection | |
| Space group | P4322 |
| Unit cell | |
| a, b, c (Å) | 49.934 49.934 186.169 |
| α, β, γ (°) | 90.000 90.000 90.000 |
| Number of unique reflections | 7,921 |
| Number of observed reflections | 193,623 |
| Resolution (Å)a | 38.90–2.60 (2.72–2.60) |
| Rpim (%)a,b | 0.049 (0.719) |
| I/σa | 10.6 (1.4) |
| Completeness (%)a | 100.0 (100.0) |
| Redundancya | 24.4 (26.1) |
| Refinement | |
| Rcryst (%)c | 21.20 |
| Rfree (%)c | 24.59 |
| Ramachandran analysis | |
| Favored (%) | 99.17 |
| Allowed (%) | 0.83 |
| R.m.s. deviation bonds | 0.013 |
| R.m.s. deviation angles | 1.247 |
a The values in parentheses are for the highest resolution shell.
b Rpim = Σhkl√((1/(n-1)) Σi |Ii − 〈I〉|/ΣhklΣi Ii, where Ii is the intensity of an individual reflection and 〈I〉 is the mean intensity obtained from multiple observations of symmetry related reflections.
c Rcryst is Σ‖Fo − Fc‖/Fo, where Fo is an observed amplitude and Fc a calculated amplitude; Rfree is the same statistic calculated over a subset of the data that has not been used for refinement.