Table 2. Data collection and refinement statistics*.
| PDB entry 4j0f | |
| Space group [No.] |
 [No. 19] |
| Unit-cell parameters (Å, °) | a = 62.6, b = 96.4, c = 114.2, |
| α = β = γ = 90° | |
| Data-collection statistics | |
| Wavelength (Å) | 1.000 |
| Resolution (Å) | 50.00–2.20 (2.24–2.20) |
| Total reflections | 257631 |
| Unique reflections | 35658 |
| Redundancy | 7.2 (7.1) |
| Completeness of data (%) | 99.9 (100.0) |
| I/σ (I), overall | 20.96 (3.28) |
| R merge † (%) | 0.091 (0.366) |
| Refinement statistics | |
| Resolution range (Å) | 73.66–2.20 |
| R work § (%) | 19.01 |
| R free ¶ (%) | 24.39 |
| R.m.s.d bonds (Å) | 0.017 |
| R.m.s.d angles (°) | 2.003 |
| Average B value (Å2) | 37.937 |
| Ramachandran plot: main-chain torsion-angle statistics (%) | |
| Most favored | 97.1 |
| Allowed | 2.9 |
| Disallowed | 0 |
*The data set was collected from one single crystal. Values in parentheses are for the highest resolution shell.
†
Rmerge = ∑hkl∑I |I i(hkl) − <I(hkl)>|/∑hkl∑i I i(hkl), where I i(hkl) is the intensity of the ith observation of the reflection hkl and <I(hkl)> is the mean intensity of reflections hkl.
§
Rwork = ∑(||F(obs)| − |F(calc)||)/∑|F(obs)|, where F(obs) and F(calc) are observed and calculated structure factors, respectively.
¶
R free was calculated using 5% of data excluded from refinement.