Table 1.
Data set | SM-SBV Na | SBV N | BUNV N |
---|---|---|---|
Wavelength (Å) | 0.9796 | 0.9464 | 1.1267 |
Space group | P32 | P32 | C2 |
Cell parameters (Å,°) | a = 80.17 | a = 81.03 | a = 328.24 |
b = 80.17 | b = 81.03 | b = 88.72 | |
c = 128.47 | c = 128.55 | c = 88.72 | |
α = 90.00 | α = 90.00 | α = 90.00 | |
β = 90.00 | β = 90.00 | β = 94.30 | |
γ = 120.00 | γ = 120.00 | γ = 90.00 | |
Total reflections | 660 751 (47587) | 77 156 (11 307) | 157 101 (15 674) |
Unique reflections | 14 225 (2925) | 24 459 (3580) | 47 586 (4503) |
Resolution (Å) | |||
Overall | 190.58–3.28 | 61.59–2.75 | 128.47–3.20 |
(High-resolution shell) | (3.54–3.28) | (2.90–2.75) | (3.30–3.20) |
Rmerge (%)b | 56.9 (132.4)a | 7.7 (56.2) | 5.1 (59.2) |
Rpim (%)d | 11.6 (43.6) | 7.7 (55.7) | 4.8 (55.4) |
Rcryst (%)d | 23.08 | 16.41 | 24.68 |
Rfree (%)c | 25.72 | 20.13 | 29.68 |
Completeness (%) | 99.8 (99.2) | 99.8 (100) | 96.9 (99.0) |
Redundancy | 46.4 (16.3) | 3.2 (3.2) | 3.3 (3.5) |
I/σ(I) | 13.9 (2.0) | 8.7 (2.0) | 13.2 (1.9) |
VM (Å3/Da) | 2.31 | 2.31 | 2.41 |
Mol. per AU | 4 | 4 | 8 |
Reflections working set | 13 481 | 23 228 | 44 762 |
Free R-value set (number of reflections) | 5.0% (713) | 5.0%(1219) | 5.1% (2383) |
RMSD bond lengths (Å) | 0.005 | 0.010 | 0.006 |
RMSD bond angles (°) | 0.996 | 1.291 | 1.327 |
Number of atoms used in refinement | |||
Non-hydrogen atoms | 7048 | 7182 | 16 571 |
Protein atoms | 7064 | 7158 | 14 811 |
Nucleic acid atoms | 0 | 0 | 1760 |
Water molecules | 16 | 24 | 0 |
Mean B value (Å2) | |||
Total | 69.1 | 78.9 | 139.1 |
Protein atoms | 69.1 | 79.0 | 139.1 |
RNA atom | N/A | N/A | 158.2 |
Water molecules | 44.9 | 59.7 | N/A |
Ramachandran plot statistics (%) | |||
Preferred region | 90.60 | 95.15 | 91.61 |
Allowed region | 6.68 | 3.83 | 6.67 |
Outliers | 2.72 | 1.01 | 1.72 |
aThis data set was only partially refined until the structure was good enough to serve as a molecular replacement model for the other two data sets. SM = selenomethionine.
bRmerge is defined as 100 × Σ∣I − <I>∣/Σ I, where I is the intensity of the reflection.
cRcryst = Σ∣∣Fo∣ − ∣Fc∣ ∣/Σ∣Fo∣, where Fo and Fc are observed and calculated structure factors, respectively.
dThe high Rmerge values of this data set reflect its very high redundancy; therefore, the Rpim values have also been included, as they are a better measure of the intrinsic quality of highly redundant data.