Table 1.
Data collection and refinement statistics
| Data collection | |
| Wavelength (Å) | 1.0 |
| Space group | P65 |
| Mol/ASU | 1 |
| X‐ray source | APS‐22‐ID |
| a, b, c (Å) | 88.6, 88.6, 67.7 |
| α, β, γ (°) | 90, 90, 120 |
| d min (Å)a | 3.5 (3.6–3.5) |
| Completeness (%)a | 99.9 (100) |
| Redundancya | 11.1 (11.2) |
| R merge b | 0.12 (0.38) |
| I/σ (I)a | 19.2 (6.4) |
| Refinement | |
| Resolution | 44.3–3.5 |
| Reflections | 3856 |
| Atoms | 2696 |
| Amino acids | 338 |
| R work c/R free d | 0.28/0.32 |
| Validation | |
| Bond angle RMSD (°) | 0.661 |
| Bond length RMSD (Å) | 0.003 |
| Ramachandran favored (%)e | 84.2 |
| Ramachandran allowed (%)e | 12.5 |
| Clashscore | 13.8 |
a
Indicates statistics for the last resolution shell shown in parentheses.
b
R merge = Σhkl,j (|Ihkl − <Ihkl>|)/Σhkl,j Ihkl, where <Ihkl> is the average intensity for a set of j symmetry‐related reflections, and Ihkl is the value of the intensity for a single reflection within a set of symmetry‐related reflections.
c
R work = Σhkl (||F o| − |F c||)/Σhkl|F o| where F o is the observed structure factor amplitude and F c is the calculated structure factor amplitude.
d
R free = Σhkl,T (||F o| − |F c||)/Σhkl,T|F o|, where a test set, T, is omitted from the refinement.
e
Calculated with MolProbity 65.