Table 1. Data collection and refinement statistics.
| C1orf123 | |
|---|---|
| Data collection | |
| Wavelength (Å) | 1.0 |
| Resolution (Å) a | 50.0–2.0 (2.03–2.00) |
| Space group | I23 |
| Cell dimensions | |
| a = b = c (Å) | 118.13 |
| α = β = γ (°) | 90.00 |
| Observed reflections | 828,155 |
| Unique reflections | 18,717 |
| Rmerge a, b | 0.067 (0.727) |
| CC1/2 c | (0.975) |
| Completeness (%) a | 99.9 (100) |
| Redundancy a | 44.2 (42.1) |
| I/sigma(I) a | 69.3 (7.2) |
| Refinement | |
| Rwork / Rfree d | 0.180/0.233 |
| No. atoms | |
| Protein | 1,256 |
| Ligand/ion | 1 |
| Water | 175 |
| Mean B-factors (Å2) | |
| Protein | 26.7 |
| Ligand | 22.5 |
| Water | 33.5 |
| R.m.s. deviation | |
| Bond length (Å) | 0.020 |
| Bond angles (°) | 1.94 |
| DPI (Å) e | 0.14 |
| Ramachandran plot | |
| Favored region (%) | 96 |
| Outlier region (%) | 0 |
a Values in parenthesis are for the highest resolution shell.
b Rmerge = ΣhklΣi|Ii(hkl) − <I(hkl)>| / ΣhklΣiIi(hkl), where <I(hkl)> is the average intensity of i observations.
c Pearson’s correlation coefficient between average intensities of random half data sets for each unique reflection.
d Rwork = Σhkl|Fobs(hkl) − Fcalc(hkl)|/ΣhklFobs(hkl), where Fobs and Fcalc are the observed and calculated structure factors, respectively. Rfree was calculated with 5% of the reflections.
e Diffraction-data precision indicator (DPI) was calculated using Sfcheck.