Table 1. Data-collection, refinement and model statistics.
Values in parentheses are for the outer shell.
PDB entry | 4wzj |
Data collection | |
Wavelength (Å) | 0.9795 |
Space group | P31 |
Unit-cell parameters (Å, °) | a = b = 248.0, c = 251.9, α = β = 90.00, γ = 120.00 |
Resolution (Å) | 68.20–3.47 (3.66–3.47) |
R merge (%) | 20.9 (72.8) |
Unique reflections | 220236 |
Mean I/σ(I) | 3.3 (1.1) |
CC1/2 | 0.991 (0.234†) |
Completeness (%) | 98.6 (97.8) |
Average multiplicity | 2.0 (1.9) |
Refinement‡ | |
Resolution (Å) | 66.15–3.60 (3.69–3.60) |
R work/R free | 0.177/0.224 (0.260/0.270) |
No. of reflections (R work/R free)‡ | 158528/8251 (3086/152) |
Completeness‡ (%) | 83.1 (21.8) |
Twin operators and estimated twin fractions | |
h, k, l | 0.2177 |
−k, −h, −l | 0.2825 |
k, h, −l | 0.2833 |
−h, −k, l | 0.2165 |
Model | |
No. of atoms | |
Total | 71485 |
Protein | 54046 |
RNA | 17436 |
Water | 3 |
R.m.s. deviations from ideal geometry§ | |
Bond lengths (Å) | 0.0105 |
Bond angles (°) | 1.399 |
B factors (Å2) | |
Overall | 124.4 |
Protein | 118.4 |
RNA | 162.8 |
Water | 42.7 |
Ramachandran plot¶ | |
Favoured (%) | 96.74 |
Outliers (%) | 0.13 |
MolProbity †† score [percentile] | 1.78 [100th] |
All-atom clashscore [percentile] | 11 [97th] |
Good rotamers (%) | 98.95 |
Good RNA backbone conformation (%) | 98.16 |