Table 1.
Crystallographic Data
| Data collection statistics | |
|---|---|
| X-ray source | EMBL BW7A |
| Wavelength | 1.74 Å |
| Oscillation angle | 0.5° |
| Number of frames | 720 |
| Resolution (Å) | 20.0–2.6 (2.68–2.6) |
| Number of unique reflections | 4813 (389) |
| Completeness (%) | 99.0 (100.0) |
| Redundancy | 19.9 |
| Rmergea | 0.041 (0.220) |
| <I>/σ(I) | 24.6 (12.0) |
| Refinement statistics | |
| Resolution range (Å) | 10.0–2.6 (2.71–2.6) |
| Number of reflections | 4456 (493) |
| Rcrystb | 0.210 (0.247) |
| Rfreeb | 0.267 (0.278) |
| Total number of atoms (Z > 1) | 919 |
| Number of solvent atoms (Z > 1) | 25 |
| Mean bond length deviation (Å) | 0.015 |
| Mean bond angle deviation (°) | 1.77 |
| Ramachandran statistics (% residues) | |
| in most favored region | 99.0 |
| in allowed region | 1.0 |
Numbers in parentheses apply to the highest resolution shell.
a
Rmerge = ΣhΣi|Ih,i − <Ih>|/ΣhΣi|Ih,i|.
b
Rcryst = _Σ||Fobs| − |Fcalc||/Σ|Fobs|. Rfree is the same, calculated from a random 5% subset of the reflections that were not included in the refinement.