TABLE 1.
Statistics of data collection and refinement
Values in parentheses are for the highest resolution shell.
| Data collection | PPR10 (C256S/C430S/C449S) |
|---|---|
| Integration package | HKL2000 |
| Space group | P43 |
| Unit cell | α = 83.32, β = 83.32, and γ = 225.50 Å; a = 90, b = 90, and c = 90° |
| Wavelength (Å) | 0.9791 |
| Resolution (Å) | 40 ∼ 2.80 (2.90 ∼ 2.80) |
| Rmerge (%)a | 8.0 (57.5) |
| I/σ | 19.9 (2.8) |
| Completeness (%) | 98.0 (99.2) |
| No. of measured reflections | 125,406 |
| No. of unique reflections | 37,060 |
| Redundancy | 3.4 (3.4) |
| Wilson B factor (Å2) | 59.5 |
| Rwork/Rfree (%) | 26.29/27.76 |
| No. of atoms | |
| Protein | 10,384 |
| Main chain | 5,480 |
| Side chain | 4,904 |
| RNA | 647 |
| Others | 5 |
| Average B value (Å2) | |
| Protein | 79.06 |
| Main chain | 78.84 |
| Side chain | 79.30 |
| RNA | 90.38 |
| Others | 79.17 |
| r.m.s.d.b | |
| Bonds (Å) | 0.015 |
| Angle | 1.050° |
| Ramachandran plot statistics (%) | |
| Most favorable | 88.8 |
| Additionally allowed | 10.3 |
| Generously allowed | 0.9 |
| Disallowed | 0.0 |
a Rmerge = ΣhΣi|Ih,i − Ih|/ΣhΣiIh,i, where Ih is the mean intensity of the i observations of symmetry-related reflections of h. r = Σ|Fobs − Fcalc|/ΣFobs, where Fcalc is the calculated protein structure factor from the atomic model (Rfree was calculated with 5% of the reflections selected).
b r.m.s.d., root mean square deviation.