Data collection and refinement statistics
| Data collection statistics . | . |
|---|---|
| Temperature (K) | 100 |
| x-ray source | NSLS, Beamline X25 |
| Detector | ADSC Q315 |
| Space group | I4132 |
| Cell dimensions (Å) | 345.2, 345.2, 345.2 |
| Resolution (Å) | 50.0-3.40 |
| Total no. of observations | 680267 |
| No. of unique observations | 48105 (6919) |
| Multiplicity | 14.1 |
| Data completeness (%) | 100.0 (100.0) |
| I/σI | 16.2 (3.0) |
| RPIM (%) | 4.6 (26.5) |
| Refinement statistics | |
| Nonhydrogen atoms | |
| Protein | 10174 |
| Water | 0 |
| Resolution (Å) | 50 – 3.4 |
| Rfactor (%) | 24.8 |
| Rfree (%) | 27.9 |
| r.m.s.d from ideality | |
| Bond lengths (Å) | 0.007 |
| Bond angles (°) | 1.53 |
| Dihedrals | 26.59 |
| Impropers | 0.963 |
| Ramachandran plot | |
| Most favored | 78.2 |
| Allowed | 20.0 |
| Generous | 1.0 |
| Unfavored | 0.8 |
| B-factors (Å2) | |
| Average per residue | 110 |
| Data collection statistics . | . |
|---|---|
| Temperature (K) | 100 |
| x-ray source | NSLS, Beamline X25 |
| Detector | ADSC Q315 |
| Space group | I4132 |
| Cell dimensions (Å) | 345.2, 345.2, 345.2 |
| Resolution (Å) | 50.0-3.40 |
| Total no. of observations | 680267 |
| No. of unique observations | 48105 (6919) |
| Multiplicity | 14.1 |
| Data completeness (%) | 100.0 (100.0) |
| I/σI | 16.2 (3.0) |
| RPIM (%) | 4.6 (26.5) |
| Refinement statistics | |
| Nonhydrogen atoms | |
| Protein | 10174 |
| Water | 0 |
| Resolution (Å) | 50 – 3.4 |
| Rfactor (%) | 24.8 |
| Rfree (%) | 27.9 |
| r.m.s.d from ideality | |
| Bond lengths (Å) | 0.007 |
| Bond angles (°) | 1.53 |
| Dihedrals | 26.59 |
| Impropers | 0.963 |
| Ramachandran plot | |
| Most favored | 78.2 |
| Allowed | 20.0 |
| Generous | 1.0 |
| Unfavored | 0.8 |
| B-factors (Å2) | |
| Average per residue | 110 |
The values in parentheses are for the highest resolution bin (approximate interval 0.1 Å). RPIM is Rmerge divided by the root square of the redundancy (reference 53). Rfactor = 100⋅Σhkl | |Fo| - |Fc| | / Σhkl |Fo| for all data except for 5%, which was used for the Rfree calculation.