Table 1.
Data collection, phasing and refinement statistics
| Data set | 3OIY |
|---|---|
| Data collection | 132.7–2.35 |
| Resolution range (Å)a | (2.44–2.35) |
| Space group | P212121 |
| Cell dimensions (Å) | a = 59.6, b = 126.5, c = 132.7 |
| Unique reflections | 42 547 (4453) |
| Multiplicity | 7.1 (7.4) |
| Completeness (%) | 99.6 (100) |
| Rsym (%)b | 9.9 (65.9) |
| Average I/σ(I) | 9.7 (1.3) |
| Refinement | 44.4–2.35 |
| Resolution range (Å) | (2.41–2.35) |
| Rcryst (%)c | 20.8 (39.4) |
| Rfree (%)c | 25.1 (41.5) |
| # of residues/waters | 807/99 |
| Phase/coordinate errors (°/Å)d | 28.3/0.38 |
| rmsd bonds/angles (Å/ °) | 0.012/1.56 |
| Ramachandran plot (%)e | 96.8/3.1/0.1 |
aValues in parentheses correspond to the highest resolution shell.
bRsym = 100·ΣhΣi|Ii(h) – <I(h)>|/ΣhΣiIi(h), where Ii(h) is the i-th measurement of reflection h and <I(h)> is the average value of the reflection intensity.
cRcryst=Σ|Fo| – |Fc|/Σ|Fo|, where Fo and Fc are the structure factor amplitudes from the data and the model, respectively; Rfree is Rcryst with 5 % of test set structure factors.
dBased on maximum likelihood.
eCalculated using COOT (19); numbers reflect the percentage amino acid residues of the core, allowed and disallowed regions, respectively.