Table 1. Data-collection and refinement statistics for the merged data set 1181 with 150% frame rejection.
Values in parentheses are for the highest resolution range.
| Data collection | |
|---|---|
| Beamline | FMX (NSLS-II) |
| Wavelength (Å) | 2.48 |
| Space group | P41212 |
| Cell dimensions a, c (Å) | 57.70, 150.45 |
| Solvent content (%) | 53.0 |
| Bragg spacings (Å) | 40–2.63 (2.70–2.63) |
| Total reflections | 2721845 |
| Unique reflections† | 8435 (14853) |
| Completeness (%) | 100.0 (100.0) |
| 〈I/σ(I)〉 | 22.4 (2.1) |
| R split | 0.05 (0.583) |
| Multiplicity | 322.7 (46.8) |
| CC1/2 | 0.996 (0.684) |
| Refinement | |
| Resolution (Å) | 2.6 |
| No. reflections | 8379 |
| R work/R free | 0.186/0.216 |
| No. atoms | 1654 |
| Wilson B factor (Å2) | 24.1 |
| Average B factor (Å2) | 23.7 |
| R.m.s deviations | |
| Bond length (Å) | 0.002 |
| Bond angle (°) | 0.435 |
| PDB code | 6o8a |
†
In parentheses is the number of unique reflections with Bijvoet pairs separated.